6CRB

Ternary complex crystal structure of DNA polymerase Beta with a dideoxy terminated primer with CF2, beta, gamma dATP analogue

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	CCD
Collection date	2015-04-10
Detector	RIGAKU SATURN 944
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	54.763, 78.772, 54.472
Unit cell angles	90.00, 108.78, 90.00

Refinement procedure

Resolution	19.973 - 2.151
R-factor	0.2227
Rwork	0.217
R-free	0.27480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2fms
RMSD bond length	0.009
RMSD bond angle	1.269
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	20.000	20.000	2.190
High resolution limit [Å]	2.150	5.790	2.150
Rmerge	0.074	0.031	0.457
Total number of observations	81066
Number of reflections	22684	1241	879
<I/σ(I)>	7.8
Completeness [%]	95.0	99.8	72.3
Redundancy	3.6	3.7	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	16-18% PEG 3350