7MZ1

Structure of human DNA polymerase beta complexed with dzA in the template base paired with incoming non-hydrolyzable TTP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2013-10-13
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	50.319, 79.839, 55.324
Unit cell angles	90.00, 107.29, 90.00

Refinement procedure

Resolution	19.960 - 2.175
R-factor	0.204
Rwork	0.201
R-free	0.25890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bpy
RMSD bond length	0.005
RMSD bond angle	1.373
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	20.000	10.000	2.220
High resolution limit [Å]	2.175	5.870	2.180
Rmerge	0.114	0.051	0.442
Number of reflections	21664	1136	1048
<I/σ(I)>	7
Completeness [%]	98.7	100	94.2
Redundancy	5.4	5.6	4

Crystallization Conditions

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