6BTE

DNA Polymerase Beta I260Q Binary Complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	BRUKER D8 QUEST
Temperature [K]	100
Detector technology	CMOS
Collection date	2014-06-27
Detector	BRUKER PHOTON 100
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	50.942, 80.568, 55.133
Unit cell angles	90.00, 107.92, 90.00

Refinement procedure

Resolution	18.960 - 2.200
R-factor	0.1896
Rwork	0.185
R-free	0.22900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3isb
RMSD bond length	0.002
RMSD bond angle	0.464
Data reduction software	SAINT (v2016.9-0)
Data scaling software	SAINT (v2016.9-0)
Phasing software	PHENIX (1.9_1692)
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	18.960	2.280
High resolution limit [Å]	2.200	2.200
Rmeas	0.079	0.327
Rpim	0.033	0.194
Number of reflections	40534	3254
<I/σ(I)>	20.4	3.7
Completeness [%]	98.9	89.3
Redundancy	5.6	2.4
CC(1/2)	0.997	0.884

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	18-20% PEG 3350, 175-250 mM sodium acetate, 50 mM HEPES pH 7.5, 2 mM TCEP, 1% tert-butanol