1XNX

Crystal structure of constitutive androstane receptor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 5ID-B
Synchrotron site	APS
Beamline	5ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2004-03-15
Detector	MARMOSAIC 225 mm CCD
Spacegroup name	C 2 2 21
Unit cell lengths	60.353, 155.042, 134.607
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.550 - 2.900
R-factor	0.2291
Rwork	0.229
R-free	0.28800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.300
Data reduction software	XDS
Data scaling software	XDS
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall
Low resolution limit [Å]	29.550
High resolution limit [Å]	2.900
Number of reflections	14394

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2	287	3Xmolar excess of androstenol to purified mCAR LBD and incubate at RT for 1 h. 1uL 6-8 mg/ml protein plus 1 uL well solution (18% PEG400, 0.2 M CaCl2, 0.1 M HEPES, pH7.2). Additive: 0.01 M L-cysteine, VAPOR DIFFUSION, HANGING DROP, temperature 287K