8T7N
Crystal structure of the R132H mutant of IDH1 bound to compound 1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-06-21 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 80.872, 80.872, 302.452 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 32.630 - 2.260 |
| R-factor | 0.2184 |
| Rwork | 0.216 |
| R-free | 0.25400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.010 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.8) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 78.130 | 2.620 |
| High resolution limit [Å] | 2.490 | 2.490 |
| Number of reflections | 36642 | 5231 |
| <I/σ(I)> | 16.6 | |
| Completeness [%] | 99.9 | |
| Redundancy | 12.7 | |
| CC(1/2) | 0.990 | 0.805 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 25% PEG3350, 0.45 M Di-Ammonium Tartrate |
