8F4G

RT XFEL structure of Photosystem II 730 microseconds after the third illumination at 2.03 Angstrom resolution

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	2018-05-25
Detector	RAYONIX MX170-HS
Wavelength(s)	1.304
Spacegroup name	P 21 21 21
Unit cell lengths	117.573, 222.915, 309.999
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.870 - 2.030
R-factor	0.1805
Rwork	0.180
R-free	0.22250
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7rf1
RMSD bond length	0.009
RMSD bond angle	1.157
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]	29.870	2.060
High resolution limit [Å]	2.030	2.030
Number of reflections	520277	25749
<I/σ(I)>	3.94	0.34
Completeness [%]	99.7
Redundancy	112.6	9.2
CC(1/2)	0.988	0.063

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