7M75

Room Temperature XFEL Crystallography reveals asymmetry in the vicinity of the two phylloquinones in Photosystem I

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	2017-07-03
Detector	RAYONIX MX170-HS
Wavelength(s)	1.305
Spacegroup name	P 63
Unit cell lengths	285.429, 285.429, 166.543
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	56.710 - 2.750
R-factor	0.2641
Rwork	0.264
R-free	0.27920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jb0
RMSD bond length	0.006
RMSD bond angle	0.991
Data reduction software	cctbx.xfel
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	56.710	2.790
High resolution limit [Å]	2.750	2.750
Number of reflections	199647	9949
<I/σ(I)>	3.6
Completeness [%]	100.0
Redundancy	506.39
CC(1/2)	0.998	0.135

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE		298	5 mM MES, pH 6.0, 12 mM sodium sulfate, 0.2% beta-dodecyl maltoside