2H8Z

Xenobiotic Reductase A in complex with 8-Hydroxycoumarin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ENRAF-NONIUS FR571
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2005-06-23
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	I 2 2 2
Unit cell lengths	57.430, 83.340, 156.790
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.420
R-factor	0.192
Rwork	0.189
R-free	0.20200
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	2h8x
RMSD bond length	0.008
RMSD bond angle	1.290
Data reduction software	XDS
Data scaling software	XDS
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.500
High resolution limit [Å]	1.420	1.420
Number of reflections	67580
Completeness [%]	94.9	85.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	290	Ammonium sulphate, Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 290K