6IE0

X-ray crystal structure of 2R,3R-butanediol dehydrogenase from Bacillus subtilis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17B1
Synchrotron site	SSRF
Beamline	BL17B1
Temperature [K]	277
Detector technology	PIXEL
Collection date	2018-04-28
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9793
Spacegroup name	P 41 21 2
Unit cell lengths	200.839, 200.839, 83.266
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.711 - 2.976
R-factor	0.1749
Rwork	0.172
R-free	0.22770
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.909
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	HKL-3000
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.711	3.000
High resolution limit [Å]	2.976	2.976
Number of reflections	34586
<I/σ(I)>	33.93
Completeness [%]	97.5
Redundancy	25.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		277	PEG3350, magnesium formate dihydrate, BOG