4KLE

DNA polymerase beta matched reactant complex with Mg2+, 10 s

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2012-09-30
Detector	RIGAKU SATURN 92
Wavelength(s)	1.54178
Spacegroup name	P 1 21 1
Unit cell lengths	50.525, 79.329, 55.146
Unit cell angles	90.00, 107.33, 90.00

Refinement procedure

Resolution	22.142 - 1.970
R-factor	0.1916
Rwork	0.185
R-free	0.24850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2fms
RMSD bond length	0.015
RMSD bond angle	1.164
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	PHENIX (1.7_650)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.040
High resolution limit [Å]	1.970	4.240	1.970
Rmerge	0.071	0.043	0.312
Number of reflections	28965
<I/σ(I)>	17.6
Completeness [%]	98.5	96.8	95.1
Redundancy	2.8	3.5	1.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8	291	50 mM imidazole, 350 mM sodium chloride, 17% PEG3350, pH 8.0, VAPOR DIFFUSION, temperature 291K