3QQP

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Collection date	2006-08-02
Wavelength(s)	0.953730
Spacegroup name	P 1 21 1
Unit cell lengths	56.927, 153.385, 74.179
Unit cell angles	90.00, 93.46, 90.00

Refinement procedure

Resolution	36.710 - 2.720
R-factor	0.1678
Rwork	0.164
R-free	0.23370
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.010
RMSD bond angle	1.230
Data scaling software	XSCALE
Phasing software	REFMAC
Refinement software	BUSTER-TNT (BUSTER 2.9.7)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	74.120		2.820
High resolution limit [Å]	2.720	12.750	2.720
Rmerge	0.119	0.029	0.345
Number of reflections	34037	344	3472
<I/σ(I)>	11.26	34.96	4.2
Completeness [%]	99.8	98.3	99.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	277	40% PEG300, 0.1M MES, pH 6.5, vapor diffusion, temperature 277K