9M82
Crystal Structure of Human IDH1 in Complex with Kinsenoside
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL10U2 |
| Synchrotron site | SSRF |
| Beamline | BL10U2 |
| Temperature [K] | 80 |
| Detector technology | CCD |
| Collection date | 2024-07-07 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.979183 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 94.899, 112.379, 97.766 |
| Unit cell angles | 90.00, 91.88, 90.00 |
Refinement procedure
| Resolution | 56.190 - 3.080 |
| R-factor | 0.2556 |
| Rwork | 0.251 |
| R-free | 0.30080 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.864 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.19.2_4158: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 56.190 | 3.190 |
| High resolution limit [Å] | 3.080 | 3.080 |
| Rmerge | 0.200 | |
| Number of reflections | 19054 | 19054 |
| <I/σ(I)> | 8.4 | |
| Completeness [%] | 92.4 | |
| Redundancy | 6.7 | |
| CC(1/2) | 0.990 | 0.990 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 289.15 | 0.5 M Ammonium Sulfate; 0.1 M Mes, pH6.0 15% PEG4000 |
