3FRJ

Crystal Structure of 11b-Hydroxysteroid Dehydrogenase-1 (11b-HSD1) in Complex with Piperidyl Benzamide Inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2005-12-06
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0
Spacegroup name	P 31 2 1
Unit cell lengths	104.917, 104.917, 134.784
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	75.340 - 2.300
R-factor	0.19426
Rwork	0.192
R-free	0.23091
RMSD bond length	0.024
RMSD bond angle	2.051
Data reduction software	MOSFLM
Data scaling software	SCALA
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	75.378	2.420
High resolution limit [Å]	2.300	2.300
Rmerge	0.056	0.436
Number of reflections	38706
<I/σ(I)>		5.7
Completeness [%]	100.0	100
Redundancy	10.5	10.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.4	289	36% P400, 0.1 M Hepes 7.5, pH 6.4, VAPOR DIFFUSION, temperature 289K