BMRB Entry 16782

Name: Solution NMR structure of Photosystem II reaction center Psb28 protein from Synechocystis sp.(strain PCC 6803), Northeast Structural Genomics Consortium Target SgR171
Published: 2010-04-21

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PDB ID: 2kvo
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR16782
MolProbity Validation Chart

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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: Solution NMR structure of Photosystem II reaction center Psb28 protein from Synechocystis sp.(strain PCC 6803), Northeast Structural Genomics Consortium Target SgR171 PubMed: 21058299

Deposition date: 2010-03-22 Original release date: 2010-04-21

Authors: Yang, Yunhuang; Ramelot, Theresa; Cort, John; Wang, Dongyan; Ciccosanti, Colleen; Hamilton, Keith; Nair, R.; Rost, B.; Acton, Thomas; Xiao, Rong; Everett, John; Montelione, Gaetano; Kennedy, Michael

Citation: Yang, Yunhuang; Ramelot, Theresa; Cort, John; Wang, Dongyan; Ciccosanti, Colleen; Hamilton, Keith; Nair, Rajesh; Rost, Burkhard; Acton, Thomas; Xiao, Rong; Everett, John; Montelione, Gaetano; Kennedy, Michael. "Solution NMR structure of photosystem II reaction center protein Psb28 from Synechocystis sp. Strain PCC 6803." Proteins 79, 340-344 (2011).

Assembly members:
Photosystem II reaction center Psb28 protein, polymer, 120 residues, 13655 Da.

Natural source: Common Name: Synechocystis sp. Taxonomy ID: 1143 Superkingdom: Bacteria Kingdom: not available Genus/species: Synechocystis sp.

Experimental source: Production method: recombinant technology Host organism: Escherichia coli

Entity Sequences (FASTA):
Photosystem II reaction center Psb28 protein: MAEIQFSKGVAETVVPEVRL SKSKNGQSGMAKFYFLEPTI LAKESTDDITGMYLIDDEGE IITREVKGKFINGRPTAIEA TVILNSQPEWDRFMRFMERY GAENGLGFSKSELEHHHHHH

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1
spectral_peak_list

Data type	Count
13C chemical shifts	515
15N chemical shifts	123
1H chemical shifts	813

Time Domain Data

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Photosystem II reaction center Psb28 protein	1

Entities:

Entity 1, Photosystem II reaction center Psb28 protein 120 residues - 13655 Da.

Photosystem II reaction center Psb28 protein from Synechocystis sp.(strain PCC 6803), preceded by non-native N-terminal Met and followed by 8 non-native C-terminal residues (LEHHHHHH)

1	MET	ALA	GLU	ILE	GLN	PHE	SER	LYS	GLY	VAL
2	ALA	GLU	THR	VAL	VAL	PRO	GLU	VAL	ARG	LEU
3	SER	LYS	SER	LYS	ASN	GLY	GLN	SER	GLY	MET
4	ALA	LYS	PHE	TYR	PHE	LEU	GLU	PRO	THR	ILE
5	LEU	ALA	LYS	GLU	SER	THR	ASP	ASP	ILE	THR
6	GLY	MET	TYR	LEU	ILE	ASP	ASP	GLU	GLY	GLU
7	ILE	ILE	THR	ARG	GLU	VAL	LYS	GLY	LYS	PHE
8	ILE	ASN	GLY	ARG	PRO	THR	ALA	ILE	GLU	ALA
9	THR	VAL	ILE	LEU	ASN	SER	GLN	PRO	GLU	TRP
10	ASP	ARG	PHE	MET	ARG	PHE	MET	GLU	ARG	TYR
11	GLY	ALA	GLU	ASN	GLY	LEU	GLY	PHE	SER	LYS
12	SER	GLU	LEU	GLU	HIS	HIS	HIS	HIS	HIS	HIS

Samples:

NC_sample: Photosystem II reaction center Psb28 protein from Synechocystis sp.(strain PCC 6803), [U-100% 13C; U-100% 15N], 0.58 ± 0.06 mM; MES 20 ± 1 mM; sodium chloride 100 ± 5 mM; calcium chloride 5 ± 0.2 mM; DTT 10 ± 0.5 mM; sodium azide 0.02 ± 0.001 %; H2O 90%; D2O 10%

NC5_sample: Photosystem II reaction center Psb28 protein from Synechocystis sp.(strain PCC 6803), [U-5% 13C; U-100% 15N], 0.44 ± 0.04 mM; MES 20 ± 1 mM; sodium chloride 100 ± 5 mM; calcium chloride 5 ± 0.2 mM; DTT 10 ± 0.5 mM; sodium azide 0.02 ± 0.001 %; H2O 90%; D2O 10%

NC_sample_in_D2O: Photosystem II reaction center Psb28 protein from Synechocystis sp.(strain PCC 6803), [U-100% 13C; U-100% 15N], 0.58 ± 0.06 mM; MES 20 ± 1 mM; sodium chloride 100 ± 5 mM; calcium chloride 5 ± 0.2 mM; DTT 10 ± 0.5 mM; sodium azide 0.02 ± 0.001 %; D2O 100%

sample_conditions_1: ionic strength: 0.2 M; pH: 6.5; pressure: 1 atm; temperature: 293 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	NC_sample	isotropic	sample_conditions_1
2D 1H-13C HSQC_CT	NC5_sample	isotropic	sample_conditions_1
3D 1H-15N NOESY	NC_sample	isotropic	sample_conditions_1
3D 1H-13C NOESY aliphatic	NC_sample	isotropic	sample_conditions_1
3D HNCO	NC_sample	isotropic	sample_conditions_1
3D HNCA	NC_sample	isotropic	sample_conditions_1
3D HNCACB	NC_sample	isotropic	sample_conditions_1
3D CBCA(CO)NH	NC_sample	isotropic	sample_conditions_1
3D HN(CO)CA	NC_sample	isotropic	sample_conditions_1
3D HBHA(CO)NH	NC_sample	isotropic	sample_conditions_1
3D H(CCO)NH	NC_sample	isotropic	sample_conditions_1
3D C(CO)NH	NC_sample	isotropic	sample_conditions_1
3D HCCH-TOCSY	NC_sample	isotropic	sample_conditions_1
3D HCCH-COSY	NC_sample	isotropic	sample_conditions_1
3D (H)CCH-TOCSY	NC_sample_in_D2O	isotropic	sample_conditions_1
4D CC NOESY	NC_sample_in_D2O	isotropic	sample_conditions_1
2D 1H-15N HSQC_swN150ppm	NC_sample	isotropic	sample_conditions_1
2D 1H-13C HSQC_HiRes	NC5_sample	isotropic	sample_conditions_1
3D 1H-13C NOESY aromatic	NC_sample	isotropic	sample_conditions_1
2D 1H-13C HSQC aromatic	NC5_sample	isotropic	sample_conditions_1
2D 1H-15N HSQC_NH2	NC_sample	isotropic	sample_conditions_1

Software:

NMRPipe v2008, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

VNMR v6.1C, Varian - collection

TOPSPIN v2.1.4, Bruker Biospin - collection

AutoStruct v2.2.1, Huang, Tejero, Powers and Montelione - data analysis

X-PLOR NIH v2.20, Schwieters, Kuszewski, Tjandra and Clore - structure solution

CNS v1.2, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

SPARKY v3.113, Goddard - data analysis

PSVS v1.4, Bhattacharya and Montelione - refinement

AutoAssign v2.30, Zimmerman, Moseley, Kulikowski and Montelione - chemical shift assignment

PDBStat v5.1, (PdbStat)-Roberto Tejero and Gaetano T. Montelione - structure solution

PINE v1.0, Bahrami, A., Assadi, A., Markley, J. L. & Eghbalnia, H. - autoassignment

NMR spectrometers:

Varian INOVA 600 MHz
Bruker AvanceIII 850 MHz

PDB	2KVO
DBJ	BAA11641 BAA16618 BAK48788 BAL27787 BAL30957
GB	AGF50307 AIE72824 ALJ66405
REF	WP_010871246 WP_028946740
SP	Q55356

Biological Magnetic Resonance Data Bank