7VJ9

class II photolyase MmCPDII semiquinone to fully reduced TR-SFX studies (semiquinone dark structure)

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	0.1657
Rwork	0.164
R-free	0.19980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2xry
RMSD bond length	0.002
RMSD bond angle	0.465
Data reduction software	CrystFEL (0.6.3)
Data scaling software	CrystFEL (0.6.3)
Phasing software	PHENIX (5.80253)
Refinement software	PHENIX ((1.19_4092: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.040	1.670
High resolution limit [Å]	1.650	1.650
Number of reflections	76053	3768
<I/σ(I)>	15.3	1
Completeness [%]	100.0	100
Redundancy	5161
CC(1/2)	0.990	0.590

Crystallization Conditions

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