4RUA

Crystal structure of Y-family DNA polymerase Dpo4 bypassing a MeFapy-dG adduct

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2010-02-01
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.07810
Spacegroup name	P 21 21 2
Unit cell lengths	95.451, 102.716, 53.432
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 3.070
R-factor	0.16843
Rwork	0.163
R-free	0.25827
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB code 2BQU
RMSD bond length	0.010
RMSD bond angle	1.527
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER ((MR))
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	3.490	3.150
High resolution limit [Å]	3.068	3.410	3.100
Rmerge	0.112	0.437	0.680
Number of reflections	10134
<I/σ(I)>	16.378	3.628	1.072
Completeness [%]	98.4	100	84.7
Redundancy	6.2	5.9	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	298	50 MM TRIS HCL,PH 7.4, 15% PEG3350, 100MM CALCIUM DIACETATE, 2.5% GLYCEROL , VAPOR DIFFUSION, HANGING DROP, temperature 298K