5K4X
M. thermoresistible IMPDH in complex with IMP and Compound 1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 77 |
| Detector technology | PIXEL |
| Collection date | 2015-08-06 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9200 |
| Spacegroup name | I 4 |
| Unit cell lengths | 88.743, 88.743, 84.973 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 61.370 - 1.370 |
| R-factor | 0.1993 |
| Rwork | 0.199 |
| R-free | 0.21250 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | IMPDH |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.154 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 61.370 | |
| High resolution limit [Å] | 1.370 | 1.370 |
| Rmerge | 0.104 | 0.900 |
| Number of reflections | 68980 | |
| <I/σ(I)> | 9.2 | |
| Completeness [%] | 100.0 | |
| Redundancy | 8.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 292 | 100mM sodium acetate pH 5.5, 200mM calcium chloride, 8-14% iso-propanol |
