5U8H

DNA Polymerase Beta G231D crystallized in PEG 400

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	104
Detector technology	IMAGE PLATE
Collection date	2012-12-10
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	54.085, 78.772, 54.686
Unit cell angles	90.00, 104.45, 90.00

Refinement procedure

Resolution	14.000 - 2.155
R-factor	0.1872
Rwork	0.182
R-free	0.23380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3isb
RMSD bond length	0.002
RMSD bond angle	0.531
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER (2.3.0)
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	14.000	14.000	2.230
High resolution limit [Å]	2.150	4.580	2.150
Rmerge	0.094	0.048	0.367
Rmeas	0.103
Rpim	0.040
Total number of observations	139223
Number of reflections	23423
<I/σ(I)>	13.5
Completeness [%]	97.6	100	80.3
Redundancy	5.9	7.1	2.1
CC(1/2)		0.999	0.805

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	22% PEG 400, 100 mM potassium sodium tartrate, 1% isopropanol