4FXS
Inosine 5'-monophosphate dehydrogenase from Vibrio cholerae 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 | I 4 2 2 |
| Unit cell lengths | 111.960, 111.960, 188.994 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.700 - 2.240 |
| R-factor | 0.1918 |
| Rwork | 0.190 |
| R-free | 0.23190 |
| Structure solution method | SAD |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.740 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.600 | 50.000 | 2.280 |
| High resolution limit [Å] | 2.240 | 6.080 | 2.240 |
| Rmerge | 0.090 | 0.061 | 0.913 |
| Number of reflections | 29245 | ||
| <I/σ(I)> | 11.1 | 5.48 | |
| Completeness [%] | 99.9 | 98.3 | 100 |
| Redundancy | 21.7 | 18.3 | 22.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 289 | 1 M sodium/potassium phosphate, 0.01 M IMP, 0.01 M mycophenolic acid, pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
