8T7D
Crystal structure of wild type IDH1 bound to compound 1
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 | 2011-03-04 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 160.592, 120.991, 139.274 |
Unit cell angles | 90.00, 119.39, 90.00 |
Refinement procedure
Resolution | 91.520 - 3.444 |
R-factor | 0.2418 |
Rwork | 0.240 |
R-free | 0.26710 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 0.990 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | BUSTER (2.11.8) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 121.350 | 3.630 |
High resolution limit [Å] | 3.440 | 3.440 |
Rmerge | 0.078 | 0.455 |
Number of reflections | 30579 | 4446 |
<I/σ(I)> | 13.6 | |
Completeness [%] | 99.1 | |
Redundancy | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1M Sodium Cacodylate, pH6.5, 0.2M NaCl, 2M Ammonium Sulfate |