4UMX
IDH1 R132H in complex with cpd 1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-05-09 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 81.408, 81.408, 305.917 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 78.670 - 1.880 |
| Rwork | 0.182 |
| R-free | 0.21120 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3mar |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.020 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | BUSTER (2.11.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 305.900 | 1.880 |
| High resolution limit [Å] | 1.880 | 1.880 |
| Rmerge | 0.110 | 0.660 |
| Number of reflections | 85717 | |
| <I/σ(I)> | 17.8 | 3.3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 14 | 9.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8 | PEG 8K 26%, TRIS 100MM PH 8, MALONATE NA 200MM |
