3RMB

Crystal Structure of a replicative DNA polymerase bound to DNA containing Thymine Glycol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2006-08-03
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.991873
Spacegroup name	P 1 21 1
Unit cell lengths	133.528, 123.439, 164.291
Unit cell angles	90.00, 96.84, 90.00

Refinement procedure

Resolution	50.000 - 2.650
Rwork	0.224
R-free	0.27630
Starting model (for MR)	2dy4
RMSD bond length	0.007
RMSD bond angle	1.218
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.740
High resolution limit [Å]	2.650	5.710	2.650
Rmerge	0.076	0.039	0.458
Number of reflections	151989
<I/σ(I)>	15.5
Completeness [%]	98.4	99.2	87.9
Redundancy	3.9	4.1	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2	297	6.5 % PEG 2000 MME, 100 mM Na acetate, 150 mM MgSO4, 100 mM Hepes pH 7.2, 6% glycerol and 2 mM beta-mercaptoethanol, vapor diffusion, hanging drop, temperature 297K