1ZQR

DNA POLYMERASE BETA (E.C.2.7.7.7)/DNA COMPLEX, SOAKED IN THE PRESENCE OF NICL2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	298
Detector technology	AREA DETECTOR
Collection date	1996-03-16
Detector	SDMS
Spacegroup name	P 21 21 2
Unit cell lengths	179.686, 57.501, 47.920
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 3.700
R-factor	0.173
Structure solution method	DIFFERENCE FOURIER
Starting model (for MR)	1zqg
RMSD bond length	0.020
RMSD bond angle	23.400 *
Data reduction software	SDMS
Data scaling software	SDMS
Phasing software	TNT (V. 5-D)
Refinement software	TNT (5-D)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	3.800
High resolution limit [Å]	3.700	3.700
Rmerge	0.093 *	0.136 *
Number of reflections	3115
Completeness [%]	70.0	91
Redundancy	1.8	1.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	6.5		THIS ENTRY DESCRIBES THE STRUCTURE THAT RESULTED WHEN A COCRYSTAL OF HUMAN DNA POLYMERASE BETA COMPLEXED WITH 7 BASE PAIRS OF DNA (SEE ENTRY 9ICJ AND REFERENCE 1) HAD BEEN SOAKED IN THE FOLLOWING SOLUTION FOR 12 HOURS: PEG 3350, 16% IMIDAZOLE, 100 MILLIMOLAR, PH 6.5 NICL2, 15 MILLIMOLAR SEE REFERENCE 3 FOR DETAILS CONCERNING EXPERIMENTAL PROCEDURES, RESULTS, AND DISCUSSION FOR THIS STRUCTURE.

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG3350	15-17 (%)
2	1	reservoir	citrate	0.1 (M)
3	1	reservoir		50 (mM)	or 50mM Li2SO4