3LS0

Crystal Structure of Cyanobacterial PsbQ from Synechocystis sp. PCC 6803

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-08-28
Detector	ADSC Omega 180
Wavelength(s)	0.95364
Spacegroup name	P 21 21 21
Unit cell lengths	28.332, 46.787, 93.510
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	18.710 - 1.800
R-factor	0.169
Rwork	0.167
R-free	0.20800
Structure solution method	MAD
RMSD bond length	0.028
RMSD bond angle	2.193
Data reduction software	XDS
Data scaling software	SCALA (3.3.9)
Phasing software	SHELX
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.130	18.710	1.900
High resolution limit [Å]	1.800	5.690	1.800
Rmerge	0.061	0.028	0.395
Total number of observations		3662	16794
Number of reflections	12135
<I/σ(I)>	24.8	19.7	5.8
Completeness [%]	99.9	97.1	100
Redundancy	9.8	8.5	9.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291	25% PEG 1450, 0.1M MES-NAOH, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
1	VAPOR DIFFUSION, HANGING DROP	6.5	291	25% PEG 1450, 0.1M MES-NAOH, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K