5WS6

Native XFEL structure of Photosystem II (preflash two-flash 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	124.960, 230.220, 286.020
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.996 - 2.350
R-factor	0.1313
Rwork	0.129
R-free	0.17510
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.370
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	2.440
High resolution limit [Å]	2.350	2.350
Number of reflections	357084
<I/σ(I)>	9.2
Completeness [%]	100.0
Redundancy	742

Crystallization Conditions

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