1S0M

Crystal structure of a Benzo[a]pyrene Diol Epoxide adduct in a ternary complex with a DNA polymerase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2003-02-26
Detector	RIGAKU RAXIS IV
Spacegroup name	P 21 21 21
Unit cell lengths	100.029, 103.545, 106.127
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.600 - 2.700
R-factor	0.207
Rwork	0.207
R-free	0.24600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jx4
RMSD bond length	0.016
RMSD bond angle	1.690
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	295	PEG3350, CA(AC)2, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	1	PEG3350
2	1	1	CA(AC)2
3	1	1	H2O
4	1	2	PEG3350
5	1	2	CA(AC)2
6	1	2	H2O