4WDW

17beta-HSD5 in complex with 3,6-dihydropyridin-1(2H)-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	2008-07-29
Detector	RIGAKU RAXIS VII
Wavelength(s)	1.5418
Spacegroup name	P 1
Unit cell lengths	55.129, 57.917, 60.333
Unit cell angles	81.03, 69.72, 79.11

Refinement procedure

Resolution	14.600 - 1.940
R-factor	0.20155
Rwork	0.199
R-free	0.25334
RMSD bond length	0.019
RMSD bond angle	2.131
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall
Low resolution limit [Å]	56.600
High resolution limit [Å]	1.940
Number of reflections	47421
<I/σ(I)>	6.9
Completeness [%]	93.6
Redundancy	2

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