7ICF

DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SIX BASE PAIRS OF DNA; SOAKED IN THE PRESENCE OF CDCL2 (0.1 MILLIMOLAR) (FOUR-DAY SOAK)

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	298
Detector technology	AREA DETECTOR
Collection date	1995-04-14
Detector	SDMS
Spacegroup name	P 21 21 2
Unit cell lengths	177.179, 57.710, 48.519
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 3.100
R-factor	0.158
Structure solution method	DIFFERENCE FOURIER
Starting model (for MR)	9ick
RMSD bond length	0.021
RMSD bond angle	3.100
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	3.200
High resolution limit [Å]	3.100	3.100
Number of reflections	8937
Completeness [%]	93.0	92
Redundancy	2.1	1.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		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 4 DAYS: PEG 3350, 16% MES, 100 MILLIMOLAR, PH 6.5 NACL, 150 MILLIMOLAR CDCL2, 0.1 MILLIMOLAR SEE REFERENCE 2 FOR DETAILS CONCERNING EXPERIMENTAL PROCEDURES, RESULTS, AND DISCUSSION FOR THIS STRUCTURE.