5U2R

PRECATALYTIC TERNARY COMPLEX OF HUMAN DNA POLYMERASE BETA WITH GAPPED DNA SUBSTARTE, INCOMING L-DCTP AND CA2+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 31-ID
Synchrotron site	APS
Beamline	31-ID
Temperature [K]	193
Detector technology	CCD
Collection date	2013-10-11
Detector	RAYONIX MX225HE
Wavelength(s)	0.97931
Spacegroup name	P 1 21 1
Unit cell lengths	50.910, 80.160, 55.640
Unit cell angles	90.00, 107.68, 90.00

Refinement procedure

Resolution	26.960 - 1.800
R-factor	0.192
Rwork	0.191
R-free	0.22900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4rpx
RMSD bond length	0.006
RMSD bond angle	1.148
Data reduction software	MOSFLM
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	26.960	1.840
High resolution limit [Å]	1.800	1.800
Rmerge	0.112	0.632
Number of reflections	39460
<I/σ(I)>	8.9	2.5
Completeness [%]	99.8	100
Redundancy	5.4	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	295	50 MM IMIDAZOLE, 350 MM SODIUM ACETATE, 17% PEG3350,