7RF8

RT XFEL structure of the two-flash state of Photosystem II (2F, S3-rich) at 2.09 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 CXI
Synchrotron site	SLAC LCLS
Beamline	CXI
Temperature [K]	298
Detector technology	CCD
Collection date	2018-11-27
Detector	RAYONIX MX340-HS
Wavelength(s)	1.30192
Spacegroup name	P 21 21 21
Unit cell lengths	116.958, 221.646, 307.786
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.650 - 2.090
R-factor	0.1816
Rwork	0.181
R-free	0.23880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6dhe
RMSD bond length	0.015
RMSD bond angle	1.462
Data reduction software	cctbx.xfel
Data scaling software	cxi.merge
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.650	2.210
High resolution limit [Å]	2.090	2.090
Number of reflections	468019	22666
<I/σ(I)>	12.8	0.6
Completeness [%]	99.8	97.42
Redundancy	81
CC(1/2)	0.979	0.044

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