6W1R

RT XFEL structure of Photosystem II 150 microseconds after the second illumination at 2.23 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	2018-11-28
Detector	RAYONIX MX340-HS
Wavelength(s)	1.30219
Spacegroup name	P 21 21 21
Unit cell lengths	117.018, 221.781, 308.191
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.700 - 2.230
R-factor	0.1728
Rwork	0.172
R-free	0.23460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6dhe
RMSD bond length	0.015
RMSD bond angle	1.540
Data reduction software	cxi.merge
Data scaling software	cxi.merge
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.700	2.270
High resolution limit [Å]	2.230	2.230
Number of reflections	386505	18749
<I/σ(I)>	8
Completeness [%]	99.6
Redundancy	48.1
CC(1/2)	0.965	0.056

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE		298	0.1 M MES, pH 6.5, 0.1 M ammonium chloride, 35% w/v PEG5000