6BEM

Ternary complex crystal structure of DNA polymerase Beta with S-isomer of beta-gamma-CHCL-dCTP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	CCD
Collection date	2016-07-12
Detector	RIGAKU SATURN 944
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	50.806, 79.995, 55.521
Unit cell angles	90.00, 107.68, 90.00

Refinement procedure

Resolution	24.644 - 1.880
R-factor	0.1895
Rwork	0.187
R-free	0.22630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2fms
RMSD bond length	0.007
RMSD bond angle	0.907
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	24.644	50.000	1.910
High resolution limit [Å]	1.880	5.100	1.880
Rmerge	0.053	0.029	0.450
Total number of observations	118628
Number of reflections	31880	1738	977
<I/σ(I)>	11.5
Completeness [%]	92.4	98.2	56.2
Redundancy	3.7	3.7	3.1

Crystallization Conditions

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