7VJI

class II photolyase MmCPDII semiquinone to fully reduced TR-SFX studies (10 us time-point)

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	2020-02-21
Detector	MPCCD
Wavelength(s)	1.24
Spacegroup name	P 43 21 2
Unit cell lengths	70.520, 70.520, 246.180
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.680 - 2.100
R-factor	0.2151
Rwork	0.214
R-free	0.24020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6LMM
RMSD bond length	0.003
RMSD bond angle	0.572
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]	33.900	1.970
High resolution limit [Å]	1.950	1.950
Number of reflections	46584	2241
<I/σ(I)>	6.8	0.99
Completeness [%]	100.0	100
Redundancy	689.76	127.6
CC(1/2)	0.996	0.619

Crystallization Conditions

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