5WS5

Native XFEL structure of photosystem II (preflash dark dataset)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	FREE ELECTRON LASER
Source details	SACLA BEAMLINE BL3
Synchrotron site	SACLA
Beamline	BL3
Temperature [K]	293
Detector technology	CCD
Collection date	2016-10-10
Detector	MPCCD
Wavelength(s)	1.77
Spacegroup name	P 21 21 21
Unit cell lengths	124.700, 229.890, 285.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.996 - 2.350
R-factor	0.1346
Rwork	0.133
R-free	0.17130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5gth
RMSD bond length	0.008
RMSD bond angle	1.410
Data reduction software	CrystFEL
Data scaling software	CrystFEL
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.400
High resolution limit [Å]	2.350	2.350
Number of reflections	357086
<I/σ(I)>	10.5
Completeness [%]	100.0
Redundancy	978

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE		293	PEG, magnesium sulfate