5GT9

The X-ray structure of 7beta-hydroxysteroid dehydrogenase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2016-05-27
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97911
Spacegroup name	P 41 21 2
Unit cell lengths	72.730, 72.730, 171.310
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.910 - 1.700
R-factor	0.167
Rwork	0.165
R-free	0.20100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5fyd
RMSD bond length	0.018
RMSD bond angle	1.809
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	1.700
Number of reflections	51175
<I/σ(I)>	13.7
Completeness [%]	99.4
Redundancy	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	0.1M Sodium malonate pH 7.0, 12% w/v Polyethylene glycol 3350