6UH2

Crystal Structure of Short Chain Dehydrogenase from Leptospira borgpetersenii serovar Hardjo-bovis (Strain JB197) with bound NAD+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2019-05-01
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.54
Spacegroup name	C 2 2 21
Unit cell lengths	63.360, 131.260, 120.420
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.003 - 1.900
R-factor	0.1571
Rwork	0.155
R-free	0.19140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5gwr
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (dev_3584)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.950
High resolution limit [Å]	1.900	1.900
Rmerge	0.064	0.488
Number of reflections	39676	2772
<I/σ(I)>	21.63	2.39
Completeness [%]	99.3	95.4
Redundancy	6.08

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	289	MORPHEUS D8 (100 MM HEPES/MOPS, PH 7.5, 0.02 M each 1,6-hexanediol, 1-butanol, (RS)-1,2-propanediol, 2-propanol, 1,4-butanediol, 1,3-propanediol, 12.5% MPD, 12.5% PEG 1000, 12.5% PEG3350), 5 mM NAD+ soak