6MGU
Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Bacillus Anthracis in the complex with inhibitor Oxanosine monophosphate
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 | 2017-03-29 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.97924 |
| Spacegroup name | P 4 |
| Unit cell lengths | 86.411, 86.411, 90.984 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.206 - 1.540 |
| R-factor | 0.1662 |
| Rwork | 0.165 |
| R-free | 0.19770 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.006 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX ((1.13_2998)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.570 |
| High resolution limit [Å] | 1.540 | 1.540 |
| Rmerge | 0.066 | 0.881 |
| Number of reflections | 97222 | |
| <I/σ(I)> | 20.6 | 0.7 |
| Completeness [%] | 98.3 | 82.6 |
| Redundancy | 4.6 | |
| CC(1/2) | 0.400 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 289 | 0.1 M Magnesium Chloride, 0.1 M MES:NaOH pH 6.5, 30% (v/v) PEG 400 |
