4UMY
IDH1 R132H in complex with cpd 1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-06-26 |
| Detector | MARRESEARCH |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 82.680, 82.680, 300.370 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.340 - 2.070 |
| R-factor | 0.2015 |
| Rwork | 0.200 |
| R-free | 0.22380 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1t09 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.040 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNX |
| Refinement software | BUSTER (2.11.5) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 99.400 | 2.140 |
| High resolution limit [Å] | 2.070 | 2.070 |
| Rmerge | 0.060 | 0.540 |
| Number of reflections | 64610 | |
| <I/σ(I)> | 31.3 | 4.36 |
| Completeness [%] | 99.4 | 99.1 |
| Redundancy | 9.7 | 9.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8 | PEG 5000 MME 22% - BIS-TRIS 100MM PH 6.5 - AMMONIUM SULFATE 220 MM |
