2RBE

The discovery of 2-anilinothiazolones as 11beta-HSD1 inhibitors

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
Collection date	2004-07-15
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	48.906, 138.660, 155.827
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.900
Rwork	0.219
R-free	0.26400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.458
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	CNS

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.930
High resolution limit [Å]	1.900	5.160	1.900
Rmerge	0.083	0.053	0.535
Number of reflections	80467
<I/σ(I)>	7.7
Completeness [%]	95.5	88.7	96

Crystallization Conditions

crystal ID	method	pH	temperature	details
1