7MTX
Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Bacillus anthracis in the complex with IMP and the inhibitor P176
Replaces: 5URRExperimental 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 | 2014-05-29 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97926 |
| Spacegroup name | P 1 |
| Unit cell lengths | 85.390, 89.921, 104.856 |
| Unit cell angles | 81.41, 90.03, 83.44 |
Refinement procedure
| Resolution | 40.080 - 2.440 |
| R-factor | 0.1801 |
| Rwork | 0.178 |
| R-free | 0.22230 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4mjm |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.540 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX (1.19_4092) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.490 |
| High resolution limit [Å] | 2.440 | 2.440 |
| Rmerge | 0.122 | 0.730 |
| Number of reflections | 111274 | 5504 |
| <I/σ(I)> | 8.9 | 1.9 |
| Completeness [%] | 98.6 | 97.9 |
| Redundancy | 2.6 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.2 | 289 | 10 % (W/V) PEG8000, 0.1 M SODIUM/POTASSIUM PHOSPHATE PH 6.2, 0.2 M SODIUM CHLORIDE |
