5EL0
Crystal structure of an Oxidoreductase (short chain dehydrogenase/reductase family) from Brucella ovis in complex with a partially ordered NAD
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-03-25 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.5418 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 53.350, 99.930, 100.480 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.120 - 1.850 |
R-factor | 0.1656 |
Rwork | 0.163 |
R-free | 0.19420 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | native structure PDB entry 4X54 |
RMSD bond length | 0.006 |
RMSD bond angle | 0.803 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHENIX |
Refinement software | PHENIX (dev_2210) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.900 |
High resolution limit [Å] | 1.850 | 8.270 | 1.850 |
Rmerge | 0.043 | 0.019 | 0.520 |
Rmeas | 0.045 | 0.020 | 0.570 |
Total number of observations | 235383 | ||
Number of reflections | 23244 | 305 | 1699 |
<I/σ(I)> | 33.26 | 103.89 | 3.15 |
Completeness [%] | 99.6 | 98.7 | 99.9 |
Redundancy | 10.1 | 6.01 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 290 | Mycrolytic MCSG1 screen, A10: 28% polypropylene glycol, 200mM CaCl2, 100mM HEPES/NaOH pH 7.5; BrovA.01365.b.B1.PS02128 at 19mg/ml, 3mM NADP; cryo: 15% PEG 400; tray 259821a10; puck hmh25-1 |