9ICA

DNA POLYMERASE BETA (E.C.2.7.7.7)/DNA COMPLEX + 2'-DEOXYADENOSINE-5'-O-(1-THIOTRIPHOSPHATE), SOAKED IN THE PRESENCE OF DATP(ALPHA)S AND MNCL2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	298
Detector technology	AREA DETECTOR
Collection date	1995-03-13
Detector	SDMS
Spacegroup name	P 21 21 2
Unit cell lengths	178.479, 57.751, 48.511
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 3.000
R-factor	0.166 *
Structure solution method	DIFFERENCE FOURIER
Starting model (for MR)	8icb
RMSD bond length	0.017
RMSD bond angle	18.800 *
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	3.100
High resolution limit [Å]	3.000	3.000
Rmerge	0.057 *	0.160 *
Number of reflections	9260
Completeness [%]	87.0	79
Redundancy	2.1	1.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	6.5	298 *	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 24 HOURS: PEG 3350, 16% MES, 100 MILLIMOLAR, PH 6.5 NACL, 150 MILLIMOLAR DATP(ALPHA)S, 1 MILLIMOLAR MNCL2, 5 MILLIMOLAR SEE REFERENCE 2 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)