4MZ8
Crystal Structure of the Inosine 5'-monophosphate Dehydrogenase, with an Internal Deletion of CBS Domain from Campylobacter jejuni complexed with inhibitor compound C91
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 | 2012-06-20 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97926 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 114.460, 114.460, 256.314 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 39.231 - 2.500 |
| R-factor | 0.1777 |
| Rwork | 0.176 |
| R-free | 0.21670 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4fo4 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.140 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX ((phenix.refine: dev_1367)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.540 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Number of reflections | 68101 | |
| <I/σ(I)> | 10.2 | 3 |
| Completeness [%] | 99.9 | 99 |
| Redundancy | 8.8 | 6.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 289 | 1.6 M ammonium sulfate, 0.1 M MES pH 6.5, 10 % dioxane, VAPOR DIFFUSION, SITTING DROP, temperature 100K, temperature 289K |
