8T7D
Crystal structure of wild type 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 | 2011-03-04 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 160.592, 120.991, 139.274 |
| Unit cell angles | 90.00, 119.39, 90.00 |
Refinement procedure
| Resolution | 91.520 - 3.444 |
| R-factor | 0.2418 |
| Rwork | 0.240 |
| R-free | 0.26710 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.990 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.8) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 121.350 | 3.630 |
| High resolution limit [Å] | 3.440 | 3.440 |
| Rmerge | 0.078 | 0.455 |
| Number of reflections | 30579 | 4446 |
| <I/σ(I)> | 13.6 | |
| Completeness [%] | 99.1 | |
| Redundancy | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1M Sodium Cacodylate, pH6.5, 0.2M NaCl, 2M Ammonium Sulfate |
