4KLD

DNA polymerase beta matched substrate complex with Ca2+, 0 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	2012-08-13
Detector	RIGAKU SATURN 92
Wavelength(s)	1.54178
Spacegroup name	P 1 21 1
Unit cell lengths	50.800, 80.400, 55.500
Unit cell angles	90.00, 107.90, 90.00

Refinement procedure

Resolution	23.147 - 1.916
R-factor	0.2019
Rwork	0.197
R-free	0.25050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3c2m
RMSD bond length	0.011
RMSD bond angle	1.237
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	PHENIX (1.7_650)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.990
High resolution limit [Å]	1.916	4.140	1.916
Rmerge	0.064	0.042	0.483
Number of reflections	30191
<I/σ(I)>	15.6
Completeness [%]	97.7	95.1	92
Redundancy	4.6	5.7	2.6

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