8HB9
Crystal Structure of Human IDH1 R132H Mutant in Complex with NADPH and Compound IHMT-IDH1-053
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-04-15 |
| Detector | DECTRIS PILATUS 200K |
| Wavelength(s) | 1.5406 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 84.759, 76.426, 171.971 |
| Unit cell angles | 90.00, 98.27, 90.00 |
Refinement procedure
| Resolution | 13.078 - 2.800 |
| Rwork | 0.216 |
| R-free | 0.24330 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6b0z |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.227 |
| Data reduction software | CrysalisPro |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 13.078 | 2.890 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.110 | 0.606 |
| Number of reflections | 53443 | 4636 |
| <I/σ(I)> | 8.8 | |
| Completeness [%] | 99.0 | |
| Redundancy | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 315 | 24% PEG 3350, 8% Tacsimate pH 6.0 |
