7RF2

RT XFEL structure of dark-stable state of Photosystem II (0F, S1 rich) at 2.08 Angstrom

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)	1.30183
Spacegroup name	P 21 21 21
Unit cell lengths	116.920, 221.635, 307.834
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.640 - 2.080
R-factor	0.1857
Rwork	0.185
R-free	0.23850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6dhe
RMSD bond length	0.015
RMSD bond angle	1.519
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]	33.640	2.120
High resolution limit [Å]	2.080	2.080
Number of reflections	474828	23014
<I/σ(I)>	13.2	0.6
Completeness [%]	99.8	97.48
Redundancy	89.1
CC(1/2)	0.980	0.054

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