8KCM

MmCPDII-DNA complex containing low-dosage, light induced repaired DNA.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL32XU
Synchrotron site	SPring-8
Beamline	BL32XU
Temperature [K]	100
Detector technology	CCD
Collection date	2018-07-30
Detector	RAYONIX MX225HE
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	71.830, 115.040, 167.710
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.290 - 2.500
R-factor	0.2198
Rwork	0.218
R-free	0.25870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7yc7
RMSD bond length	0.005
RMSD bond angle	0.727
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	REFMAC
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.950	2.650
High resolution limit [Å]	2.500	2.500
Number of reflections	48931	7737
<I/σ(I)>	4.66
Completeness [%]	99.9	100
Redundancy	26.53
CC(1/2)	0.739	0.437

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	4.6	296	100 mM Sodium Acetate pH 4.6 250 mM ammonium sulfate 4% PEG4000 (w/v) 50 mM DTT