8T7N
Crystal structure of the R132H mutant of 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 | 2013-06-21 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 80.872, 80.872, 302.452 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 32.630 - 2.260 |
R-factor | 0.2184 |
Rwork | 0.216 |
R-free | 0.25400 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.010 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | BUSTER (2.11.8) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 78.130 | 2.620 |
High resolution limit [Å] | 2.490 | 2.490 |
Number of reflections | 36642 | 5231 |
<I/σ(I)> | 16.6 | |
Completeness [%] | 99.9 | |
Redundancy | 12.7 | |
CC(1/2) | 0.990 | 0.805 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 25% PEG3350, 0.45 M Di-Ammonium Tartrate |