6DHO

RT XFEL structure of the two-flash state of Photosystem II (2F, S3-rich) at 2.07 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	117.011, 221.542, 308.346
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.578 - 2.070
R-factor	0.185
Rwork	0.184
R-free	0.24750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5kaf
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]	30.580	30.580	2.106
High resolution limit [Å]	2.070	5.619	2.070
Number of reflections	483509
<I/σ(I)>	15.463	122.804	0.582
Completeness [%]	100.0	99.23	99.98
Redundancy	207.28	750.75	13.75
CC(1/2)	0.982	0.987	0.021

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