6DHH

RT XFEL structure of Photosystem II 400 microseconds after the second illumination at 2.2 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	2016-07-14
Detector	RAYONIX MX170-HS
Wavelength(s)	1.305
Spacegroup name	P 21 21 21
Unit cell lengths	117.691, 222.529, 308.514
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.851 - 2.200
R-factor	0.1939
Rwork	0.193
R-free	0.26430
Data reduction software	cctbx.xfel
Phasing software	PHASER
Refinement software	PHENIX (dev_svn)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.850	30.850	2.238
High resolution limit [Å]	2.200	5.972	2.200
Number of reflections	407641
<I/σ(I)>	10.602	81.921	0.707
Completeness [%]	100.0	99.1	99.99
Redundancy	133.39	555.29	13.8
CC(1/2)	0.960	0.971	0.006

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