9ICO

DNA POLYMERASE BETA (E.C.2.7.7.7)/DNA COMPLEX, SOAKED IN THE PRESENCE OF DTTP AND MGCL2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	298
Detector technology	AREA DETECTOR
Collection date	1995-02-11
Detector	SDMS
Spacegroup name	P 21 21 2
Unit cell lengths	178.631, 57.708, 48.502
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.900
R-factor	0.152
Structure solution method	DIFFERENCE FOURIER
Starting model (for MR)	9ick
RMSD bond length	0.017
RMSD bond angle	2.800
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	3.000
High resolution limit [Å]	2.900	2.900
Rmerge	0.046 *	0.146 *
Number of reflections	10049
Completeness [%]	86.0	74
Redundancy	2.1	1.5

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 6 BASE PAIRS OF DNA (SEE ENTRY 9ICW 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 DTTP, 1 MILLIMOLAR MGCL2, 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)	or 50mM Li2SO4