2O6L

Crystal Structure of the UDP-Glucuronic Acid Binding Domain of the Human Drug Metabolizing UDP-Glucuronosyltransferase 2B7

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2006-02-12
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97925, 0.97942, 0.97174, 0.98089
Spacegroup name	P 65 2 2
Unit cell lengths	75.175, 75.175, 218.296
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.520 - 1.800
R-factor	0.219
Rwork	0.219
R-free	0.24500
Structure solution method	MAD
RMSD bond length	0.005
RMSD bond angle	1.300
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.860
High resolution limit [Å]	1.800	1.800
Number of reflections	33813
<I/σ(I)>	50	6.5
Completeness [%]	97.7	94.3
Redundancy	14.4	13.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	295	12-16% PEG 4000, 100 mM K2CO3, 100 mM Tris, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 295K
1	VAPOR DIFFUSION, HANGING DROP	7.4	295	12-16% PEG 4000, 100 mM K2CO3, 100 mM Tris, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 295K
1	VAPOR DIFFUSION, HANGING DROP	7.4	295	12-16% PEG 4000, 100 mM K2CO3, 100 mM Tris, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 295K
1	VAPOR DIFFUSION, HANGING DROP	7.4	295	12-16% PEG 4000, 100 mM K2CO3, 100 mM Tris, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 295K