8F4I

RT XFEL structure of Photosystem II 2000 microseconds after the third illumination at 2.00 Angstrom resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	FREE ELECTRON LASER
Source details	SACLA BEAMLINE BL2
Synchrotron site	SACLA
Beamline	BL2
Temperature [K]	298
Detector technology	CCD
Collection date	2019-07-13
Detector	RAYONIX MX300-HS
Wavelength(s)	1.241
Spacegroup name	P 21 21 21
Unit cell lengths	117.310, 222.595, 308.896
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.720 - 2.000
R-factor	0.1863
Rwork	0.186
R-free	0.23240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7rf1
RMSD bond length	0.009
RMSD bond angle	1.152
Data reduction software	cctbx.xfel
Data scaling software	cctbx.xfel.merge
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.730	2.030
High resolution limit [Å]	2.000	2.000
Number of reflections	543130	26979
<I/σ(I)>	4.72	0.51
Completeness [%]	99.9
Redundancy	170.1	23.7
CC(1/2)	0.993	0.090

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