4RI3

Crystal structure of DCCD-modified 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)	0.98
Spacegroup name	P 21 21 21
Unit cell lengths	71.704, 77.697, 93.159
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.061 - 2.700
R-factor	0.2372
Rwork	0.232
R-free	0.28420
Structure solution method	MIRAS
RMSD bond length	0.005
RMSD bond angle	0.763
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]	40.000	2.800
High resolution limit [Å]	2.700	2.700
Number of reflections	14771
Completeness [%]	99.9	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