8IR5

XFEL structure of cyanobacterial photosystem II under dark conditions

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	FREE ELECTRON LASER
Source details	SACLA BEAMLINE BL2
Synchrotron site	SACLA
Beamline	BL2
Temperature [K]	293
Detector technology	CCD
Collection date	2020-07-07
Detector	RAYONIX MX300-HS
Wavelength(s)	1.24
Spacegroup name	P 21 21 21
Unit cell lengths	125.750, 231.600, 288.280
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.980 - 2.150
R-factor	0.146
Rwork	0.144
R-free	0.17490
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.256
Data reduction software	cctbx.xfel
Data scaling software	cxi.merge
Phasing software	PHASER
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.450	2.190
High resolution limit [Å]	2.150	2.150
Number of reflections	452192	22435
<I/σ(I)>	75.2
Completeness [%]	100.0
Redundancy	597.1
CC(1/2)	0.997	0.592

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	6	293	5.5% PEG1450, 20mM NaCl, 10mM CaCl2, 40mM MgSO4, 20mM Mes BUFFER