5K4Z
M. thermoresistible IMPDH in complex with IMP and Compound 6
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 77 |
| Detector technology | PIXEL |
| Collection date | 2015-11-22 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9795 |
| Spacegroup name | I 4 |
| Unit cell lengths | 89.270, 89.270, 84.760 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.630 - 1.640 |
| R-factor | 0.1934 |
| Rwork | 0.193 |
| R-free | 0.20020 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | M. thermo IMPDH |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.213 |
| 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] | 44.630 | |
| High resolution limit [Å] | 1.640 | 1.640 |
| Rmerge | 0.101 | 1.270 |
| Number of reflections | 40582 | |
| <I/σ(I)> | 8.9 | |
| Completeness [%] | 99.7 | |
| Redundancy | 7.4 |
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 |
