5ZCW

Structure of the Methanosarcina mazei class II CPD-photolyase in complex with intact, phosphodiester linked, CPD-lesion

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE TPS 05A
Synchrotron site	NSRRC
Beamline	TPS 05A
Temperature [K]	100
Detector technology	CCD
Collection date	2017-08-16
Detector	RAYONIX MX300-HS
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	71.100, 114.420, 166.420
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	94.290 - 2.700
R-factor	0.2161
Rwork	0.214
R-free	0.25726
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2xrz
RMSD bond length	0.012
RMSD bond angle	1.682
Data reduction software	XDS (June 1, 2017)
Data scaling software	XSCALE (June 1, 2017)
Phasing software	PHASER (2.7.17)
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	94.290	2.796
High resolution limit [Å]	2.700	2.700
Rmerge	0.544	0.929
Rpim	0.222	0.556
Number of reflections	38064	3734
<I/σ(I)>	10.67	1.43
Completeness [%]	99.9	99.87
Redundancy	6.8	3.7
CC(1/2)	0.857	0.522

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	297	0.1 M NaOAc pH 4.6, 0.25 M (NH4)2SO4, 4% PEG 4000
1	VAPOR DIFFUSION, HANGING DROP	4.6	297	0.1 M NaOAc pH 4.6, 0.25 M (NH4)2SO4, 4% PEG 4000