6U4J
Crystal structure of IDH1 R132H mutant in complex with FT-2102
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-08-16 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9159 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 69.328, 97.825, 75.243 |
| Unit cell angles | 90.00, 98.41, 90.00 |
Refinement procedure
| Resolution | 47.660 - 2.110 |
| R-factor | 0.17 |
| Rwork | 0.168 |
| R-free | 0.22000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3inm |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.050 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.660 | 2.150 |
| High resolution limit [Å] | 2.110 | 2.110 |
| Rmerge | 0.070 | 0.690 |
| Number of reflections | 57115 | 2849 |
| <I/σ(I)> | 16.9 | 2.4 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.8 | 6.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 20% PEG 3000, 0.1 M Sodium citrate |
