5UPV
Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Mycobacterium tuberculosis In the presence of G36
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 | PIXEL |
| Collection date | 2016-03-22 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97932 |
| Spacegroup name | I 4 |
| Unit cell lengths | 88.128, 88.128, 84.364 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.708 - 1.630 |
| R-factor | 0.164 |
| Rwork | 0.163 |
| R-free | 0.18390 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4zqr |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.895 |
| 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 | 1.660 |
| High resolution limit [Å] | 1.630 | 1.630 |
| Number of reflections | 39240 | 1628 |
| <I/σ(I)> | 16.1 | 1 |
| Completeness [%] | 97.6 | 81 |
| Redundancy | 5.1 | 2.2 |
| CC(1/2) | 0.412 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289 | 0.2 M sodium chloride, 0.1 M HEPES pH 7.5, 10 % (v/v) isopropanol |
