7VJA

class II photolyase MmCPDII semiquinone to fully reduced TR-SFX studies (10 ns 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	2018-07-07
Detector	MPCCD
Wavelength(s)	1.24
Spacegroup name	P 43 21 2
Unit cell lengths	70.550, 70.550, 245.700
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.650 - 2.150
R-factor	0.199
Rwork	0.198
R-free	0.21970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6LMM
RMSD bond length	0.001
RMSD bond angle	0.464
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]	42.600	2.170
High resolution limit [Å]	2.150	2.150
Rmerge		0.550
Number of reflections	34982	1711
<I/σ(I)>	8.82
Completeness [%]	100.0
Redundancy	740.6
CC(1/2)	0.996	0.559

Crystallization Conditions

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