8HDI

Brucella melitensis 7-alpha-Hydroxysteroid Dehydrogenase mutant: 1-53 truncation/K262T

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-07-12
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	P 32 2 1
Unit cell lengths	99.731, 99.731, 185.177
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.060 - 1.990
R-factor	0.1745
Rwork	0.173
R-free	0.21180
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.903
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX ((1.20.1_4487))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.180	2.070
High resolution limit [Å]	1.990	1.990
Number of reflections	73068	73517
<I/σ(I)>	15.5	6.6
Completeness [%]	99.9	100
Redundancy	9.9	10.1
CC(1/2)	0.996	0.972

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4	289	0.1M MIB, 10% PEG3350