7RF1

RT XFEL structure of Photosystem II averaged across all S-states at 1.89 Angstrom resolution

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	FREE ELECTRON LASER
Source details	SLAC LCLS BEAMLINE MFX
Synchrotron site	SLAC LCLS
Beamline	MFX
Temperature [K]	298
Detector technology	CCD
Collection date	2018-11-27
Detector	RAYONIX MX340-HS
Wavelength(s)	1.30212
Spacegroup name	P 21 21 21
Unit cell lengths	117.000, 221.600, 307.700
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.670 - 1.890
R-factor	0.1713
Rwork	0.171
R-free	0.21410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6dhe
RMSD bond length	0.014
RMSD bond angle	1.522
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]	33.670	1.923
High resolution limit [Å]	1.890	1.890
Number of reflections	632624	31359
<I/σ(I)>	31.221
Completeness [%]	100.0	99.9
Redundancy	672
CC(1/2)	0.996	0.029

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	6.5	298	0.1 M MES pH 6.5, 0.1 M NH4Cl, 35% (w/v) PEG 5000