6M9U

Structure of the apo-form of 20beta-Hydroxysteroid Dehydrogenase from Bifidobacterium adolescentis strain L2-32

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-10-28
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.979
Spacegroup name	I 4 2 2
Unit cell lengths	168.371, 168.371, 126.961
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.686 - 2.200
R-factor	0.1974
Rwork	0.196
R-free	0.23110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3r1i
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.690	2.279
High resolution limit [Å]	2.200	2.200
Rmerge	0.140
Rmeas	0.151
Rpim	0.055
Number of reflections	338597	33468
<I/σ(I)>	9.52
Completeness [%]	99.6	99.72
Redundancy	7.3
CC(1/2)	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	20% v/v 2-propanol, 0.1 M MES monohydrate pH 6.0, 20% w/v Polyethylene glycol monomethyl ether 2,000