6W1Q

RT XFEL structure of Photosystem II 50 microseconds after the second illumination at 2.27 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)	1.30196
Spacegroup name	P 21 21 21
Unit cell lengths	117.068, 222.051, 308.363
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.450 - 2.270
R-factor	0.1784
Rwork	0.178
R-free	0.24950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6dhe
RMSD bond length	0.016
RMSD bond angle	1.623
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]	33.450	2.310
High resolution limit [Å]	2.270	2.270
Number of reflections	367301	17756
<I/σ(I)>	11.8
Completeness [%]	99.6
Redundancy	55.8
CC(1/2)	0.967	0.047

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