4FO4
Inosine 5'-monophosphate dehydrogenase from Vibrio cholerae, deletion mutant, complexed with IMP and mycophenolic acid
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 | 2012-06-04 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 4 21 2 |
| Unit cell lengths | 120.909, 120.909, 94.871 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.600 - 2.030 |
| R-factor | 0.16753 |
| Rwork | 0.165 |
| R-free | 0.21337 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4FF0 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.799 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 35.500 | 50.000 | 2.070 |
| High resolution limit [Å] | 2.030 | 5.510 | 2.030 |
| Rmerge | 0.084 | 0.033 | 0.802 |
| Number of reflections | 45602 | ||
| <I/σ(I)> | 9.1 | 2.37 | |
| Completeness [%] | 99.5 | 97.2 | 97.3 |
| Redundancy | 9.2 | 8.9 | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 289 | 15% tacsimate, 0.1 M Hepes buffer, 2% PEG 3350, 0.01 M IMP, 0.01 M mycophenolic acid, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
