8G93

Crystal structures of 17-beta-hydroxysteroid dehydrogenase 13

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-12-04
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.0
Spacegroup name	P 21 21 2
Unit cell lengths	76.730, 186.320, 65.320
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.090 - 1.910
R-factor	0.201
Rwork	0.200
R-free	0.22400
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.010
RMSD bond angle	1.100
Data reduction software	XDS
Data scaling software	autoPROC
Phasing software	BUSTER
Refinement software	BUSTER

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	93.160	2.210
High resolution limit [Å]	1.930	1.930
Rpim	0.065	0.404
Number of reflections	36866	1835
<I/σ(I)>	8.8
Completeness [%]	93.6
Redundancy	6.2
CC(1/2)	0.997	0.564

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	30% PEG3350, 0.2 M ammonium chloride