7ICE

DNA POLYMERASE BETA (E.C.2.7.7.7)/DNA COMPLEX, SOAKED IN THE PRESENCE OF CACL2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	298
Detector technology	AREA DETECTOR
Collection date	1995-03-26
Detector	SDMS
Spacegroup name	P 21 21 2
Unit cell lengths	178.469, 57.798, 48.444
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.800
Rwork	0.162
Structure solution method	DIFFERENCE FOURIER
Starting model (for MR)	9ick
RMSD bond length	0.018
RMSD bond angle	23.900 *
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	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.046 *	86.000 *
Number of reflections	11597
Completeness [%]	90.0	86
Redundancy	1.9	1.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	6.5		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 3 DAYS: PEG 3350, 16% MES, 100 MILLIMOLAR, PH 6.5 NACL, 150 MILLIMOLAR CACL2, 0.1 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	10-12 (%(w/v))
2	1	reservoir	citrate	0.1 (M)
3	1	reservoir		50 (mM)	or 50mM Li2SO4