4PPX

DNA Polymerase Beta E295K with Spiroiminodihydantoin in Templating Position

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	104
Detector technology	IMAGE PLATE
Collection date	2012-10-23
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	54.276, 79.102, 54.742
Unit cell angles	90.00, 105.40, 90.00

Refinement procedure

Resolution	13.684 - 2.080
R-factor	0.1814
Rwork	0.177
R-free	0.21710
Starting model (for MR)	4m9g
RMSD bond length	0.002
RMSD bond angle	0.666
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER (2.5.1)
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	14.000	14.000	2.150
High resolution limit [Å]	2.080	4.440	2.080
Rmerge	0.050	0.028	0.261
Number of reflections	25842
<I/σ(I)>	16.5
Completeness [%]	96.4	99.7	80.7
Redundancy	3.3	3.6	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	14% PEG3350, 300 mM sodium acetate, pH 9.0, 50 mM HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K