7VIW

Dark adapted MmCPDII during oxidized to semiquinone TR-SFX studies

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	FREE ELECTRON LASER
Source details	SACLA BEAMLINE BL2
Synchrotron site	SACLA
Beamline	BL2
Temperature [K]	293
Detector technology	CCD
Collection date	2019-05-28
Detector	MPCCD
Wavelength(s)	1.2398
Spacegroup name	P 43 21 2
Unit cell lengths	70.500, 70.500, 246.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.490 - 1.740
R-factor	0.1647
Rwork	0.163
R-free	0.19880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2xry
RMSD bond length	0.013
RMSD bond angle	1.111
Data reduction software	CrystFEL (0.6.3)
Data scaling software	CrystFEL (0.6.3)
Phasing software	REFMAC (5.8.0253)
Refinement software	PHENIX ((1.19_4092: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.750	1.780
High resolution limit [Å]	1.740	1.740
Number of reflections	66271	3423
<I/σ(I)>	15.24	0.72
Completeness [%]	100.0	100
Redundancy	4844
CC(1/2)	0.999	0.890

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE		277	0.5-0.65 M Li2SO4 10-15% (W/V) PEG8000