6DHG

RT XFEL structure of Photosystem II 150 microseconds after the second illumination at 2.5 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	2017-07-13
Detector	RAYONIX MX170-HS
Wavelength(s)	1.305
Spacegroup name	P 21 21 21
Unit cell lengths	117.553, 222.695, 309.061
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.783 - 2.500
R-factor	0.168
Rwork	0.167
R-free	0.24640
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]	30.780	30.780	2.543
High resolution limit [Å]	2.500	6.786	2.500
Number of reflections	279073
<I/σ(I)>	11.143	71.486	0.983
Completeness [%]	99.9	98.67	99.99
Redundancy	61.41	185.03	12.86
CC(1/2)	0.938	0.953	0.068

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