3RMA

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-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2008-10-23
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.033202
Spacegroup name	P 1 21 1
Unit cell lengths	132.699, 123.000, 163.941
Unit cell angles	90.00, 96.08, 90.00

Refinement procedure

Resolution	50.000 - 2.840
Rwork	0.215
R-free	0.27460
RMSD bond length	0.007
RMSD bond angle	1.236
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.940
High resolution limit [Å]	2.840	6.120	2.840
Rmerge	0.170		0.764
Number of reflections	125223
<I/σ(I)>	10.7		2.03
Completeness [%]	99.8	99.9	99.8
Redundancy	7.9		6.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2	297	10-11 % PEG 2000 MME, 100 mM Na acetate, 150 mM MgSO4, 100 mM Hepes, 6-10 % glycerol, 2 mM beta-mercaptoethanol, vapor diffusion, hanging drop, temperature 297K, pH 7.2, VAPOR DIFFUSION, HANGING DROP
1	VAPOR DIFFUSION, HANGING DROP	7.2	297	10-11 % PEG 2000 MME, 100 mM Na acetate, 150 mM MgSO4, 100 mM Hepes, 6-10 % glycerol, 2 mM beta-mercaptoethanol, vapor diffusion, hanging drop, temperature 297K, pH 7.2, VAPOR DIFFUSION, HANGING DROP