6JLJ

XFEL structure of cyanobacterial photosystem II (dark state, dataset1)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	FREE ELECTRON LASER
Source details	SACLA BEAMLINE BL3
Synchrotron site	SACLA
Beamline	BL3
Temperature [K]	100
Detector technology	CCD
Collection date	2016-11-01
Detector	RAYONIX MX300-HS
Wavelength(s)	1.2398
Spacegroup name	P 21 21 21
Unit cell lengths	121.970, 228.720, 286.980
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.990 - 2.150
R-factor	0.154
Rwork	0.152
R-free	0.19800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ub6
RMSD bond length	0.008
RMSD bond angle	1.385
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]	20.000	2.230
High resolution limit [Å]	2.150	2.150
Number of reflections	431890	46395
<I/σ(I)>	10.6
Completeness [%]	100.0
Redundancy	1341
CC(1/2)	0.996	0.287

Crystallization Conditions

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