7VJK

class II photolyase MmCPDII semiquinone to fully reduced TR-SFX studies (100 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	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	0.2111
Rwork	0.210
R-free	0.23750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6LMM
RMSD bond length	0.003
RMSD bond angle	0.581
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
Number of reflections	34982	1711
<I/σ(I)>	7.33	0.44
Completeness [%]	100.0	100
Redundancy	666.5
CC(1/2)	0.994	0.484

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE		278	0.5-0.65 M Li2SO4 10-15% (W/V) PEG8000