9DTK
Crystal structure of UDP-N-acetylenolpyruvoylglucosamine reductase (MurB) from Brucella ovis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALBA BEAMLINE XALOC |
| Synchrotron site | ALBA |
| Beamline | XALOC |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-05-25 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.979185 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 120.032, 37.533, 77.902 |
| Unit cell angles | 90.00, 91.09, 90.00 |
Refinement procedure
| Resolution | 60.010 - 2.270 |
| R-factor | 0.2473 |
| Rwork | 0.217 |
| R-free | 0.24720 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.768 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 77.890 | 2.350 |
| High resolution limit [Å] | 2.230 | 2.230 |
| Rmerge | 0.075 | 0.264 |
| Number of reflections | 15551 | 1638 |
| <I/σ(I)> | 8.4 | 3.6 |
| Completeness [%] | 94.3 | 94.4 |
| Redundancy | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291.15 | 16% PEG4000, 0.200 M lithium sulfate, 0.100 M Tris-HCl, pH 8.5 |
