5URQ
Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Campylobacter jejuni in the complex with inhibitor p176
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-11-06 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97932 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 98.487, 141.793, 121.640 |
| Unit cell angles | 90.00, 94.47, 90.00 |
Refinement procedure
| Resolution | 40.795 - 2.700 |
| R-factor | 0.1827 |
| Rwork | 0.180 |
| R-free | 0.23480 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4r7j |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.101 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.750 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Number of reflections | 91374 | 4135 |
| <I/σ(I)> | 10.8 | 1.3 |
| Completeness [%] | 98.9 | 89.7 |
| Redundancy | 3.3 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 289 | 10 % (v/v) 2-propanol, 0.1 M Tris pH 8.5 |
