4RI2

Crystal structure of the photoprotective protein PsbS from spinach

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NE3A
Synchrotron site	Photon Factory
Beamline	AR-NE3A
Temperature [K]	100
Detector technology	CCD
Collection date	2012-12-02
Detector	ADSC QUANTUM 270
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	71.999, 77.537, 93.184
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.801 - 2.350
R-factor	0.2327
Rwork	0.230
R-free	0.26570
Structure solution method	MIRAS
RMSD bond length	0.004
RMSD bond angle	0.915
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.430
High resolution limit [Å]	2.350	2.350
Number of reflections	22232
Completeness [%]	99.8	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	293	100 mM sodium acetate, 25% PEG 300, 1% ethyl acetate, pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K