4MB7

Crystal Structure of a viral DNA glycosylase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-12-16
Detector	PSI PILATUS 6M
Wavelength(s)	0.91730
Spacegroup name	H 3 2
Unit cell lengths	121.670, 121.670, 164.180
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.703 - 2.040
R-factor	0.1895
Rwork	0.185
R-free	0.22530
Structure solution method	SIRAS
RMSD bond length	0.005
RMSD bond angle	0.916
Data scaling software	SCALA
Phasing software	SOLVE (2.15)
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	64.760	2.090
High resolution limit [Å]	2.040	2.040
Rmerge	0.150	0.665
<I/σ(I)>	9.5	3.3
Redundancy	10.1	10.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.8	291	20% (w/v) polyethylene glycol 3350, and 0.2 M sodium sulfate decahydrate , pH 6.8, VAPOR DIFFUSION, temperature 291K