4P2H

Structure of human DNA polymerase complexed with N7MG in the template opposite to incoming non-hydrolyzable TTP with manganese in the active site

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.3
Synchrotron site	ALS
Beamline	5.0.3
Temperature [K]	100
Detector technology	CCD
Collection date	2013-12-15
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97648
Spacegroup name	P 1 21 1
Unit cell lengths	54.767, 79.167, 54.982
Unit cell angles	90.00, 106.18, 90.00

Refinement procedure

Resolution	19.792 - 1.987
R-factor	0.2063
Rwork	0.204
R-free	0.24950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bxp
RMSD bond length	0.005
RMSD bond angle	1.219
Data scaling software	SCALEPACK
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	20.000	20.000	2.020
High resolution limit [Å]	1.990	5.370	1.990
Rmerge	0.086	0.047	0.445
Total number of observations	174392
Number of reflections	30969
<I/σ(I)>	7.8
Completeness [%]	100.0	100	100
Redundancy	5.6	5.6	5.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	14%-23% PEG3400, 350 mM sodium acetate, 50 mM imidazole