6O2Y
Crystal structure of IDH1 R132H mutant in complex with compound 24
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-07-18 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0750 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 165.679, 63.496, 143.598 |
| Unit cell angles | 90.00, 99.52, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.800 |
| R-factor | 0.21199 |
| Rwork | 0.209 |
| R-free | 0.27450 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.565 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.900 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Number of reflections | 36650 | |
| <I/σ(I)> | 15.8 | |
| Completeness [%] | 98.6 | |
| Redundancy | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 20% PEG MME 5000, 0.1 M Bicine pH 8.5, and 0.2 M Sodium formate. |
