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 |