5U8I

DNA Polymerase Beta S229L crystallized in PEG 400

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-01-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.033
Spacegroup name	P 1 21 1
Unit cell lengths	53.965, 78.762, 54.651
Unit cell angles	90.00, 104.64, 90.00

Refinement procedure

Resolution	37.726 - 2.450
R-factor	0.1885
Rwork	0.184
R-free	0.23060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3isb
RMSD bond length	0.002
RMSD bond angle	0.435
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	2.540
High resolution limit [Å]	2.450	5.270	2.450
Rmerge	0.100	0.060	0.188
Rmeas	0.108
Rpim	0.040
Total number of observations	95149
Number of reflections	15069
<I/σ(I)>	10.7
Completeness [%]	91.9	99.9	76.6
Redundancy	6.3	7.8	4
CC(1/2)		0.999	0.953

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	24% PEG 400, 30 mM potassium sodium tartrate, 1% 1,4-dioxane