4ZQN
Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Mycobacterium tuberculosis in the complex with IMP and the inhibitor P41
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 | 2013-04-14 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97899 |
| Spacegroup name | I 4 |
| Unit cell lengths | 87.937, 87.937, 84.758 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.674 - 2.000 |
| R-factor | 0.18 |
| Rwork | 0.178 |
| R-free | 0.22100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.209 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX (dev_1621) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.762 | |
| Number of reflections | 21470 | |
| <I/σ(I)> | 8.2 | 1.8 |
| Completeness [%] | 98.0 | 86.1 |
| Redundancy | 3.9 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 289 | 0.3 M Magnesium formate, 0.1 M Tris pH 8.5 |
