9B81
Crystal structure of wild type IDH1 bound to compound 4
This is a non-PDB format compatible entry.
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 | 2012-03-23 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 82.790, 82.790, 302.160 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.060 - 2.560 |
| R-factor | 0.2029 |
| Rwork | 0.201 |
| R-free | 0.23310 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.240 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.9.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 302.000 | 2.700 |
| High resolution limit [Å] | 2.560 | 2.560 |
| Rmerge | 0.076 | 0.573 |
| Number of reflections | 35021 | 67305 |
| <I/σ(I)> | 24.1 | |
| Completeness [%] | 100.0 | |
| Redundancy | 12.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1M Sodium Cacodylate, pH6.5, 0.2M NaCl, 2M Ammonium Sulfate |
