6W1O

RT XFEL structure of the dark-stable state of Photosystem II (0F, S1-rich) at 2.08 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)	1.30183
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	0.1819
Rwork	0.181
R-free	0.24030
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6dhe
RMSD bond length	0.015
RMSD bond angle	1.536
Data reduction software	cctbx.xfel
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

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
Completeness [%]	99.8
Redundancy	89.1
CC(1/2)	0.980	0.054

Crystallization Conditions

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