4WDX

17beta-HSD5 in complex with [4-(2-hydroxyethyl)piperidin-1-yl](5-methyl-1H-indol-2-yl)methanone

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	90
Detector technology	IMAGE PLATE
Collection date	2008-07-16
Detector	RIGAKU RAXIS VII
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	60.041, 77.227, 72.208
Unit cell angles	90.00, 97.62, 90.00

Refinement procedure

Resolution	14.270 - 1.640
R-factor	0.21606
Rwork	0.214
R-free	0.24879
RMSD bond length	0.022
RMSD bond angle	2.253
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall
Low resolution limit [Å]	59.510
High resolution limit [Å]	1.640
Number of reflections	76592
<I/σ(I)>	6.7
Completeness [%]	95.7
Redundancy	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	0.1 M HEPES, 0.2M ammonium dihydrogen phosphate, 20-25% (w/v) PEG3350