8HB9
Crystal Structure of Human IDH1 R132H Mutant in Complex with NADPH and Compound IHMT-IDH1-053
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-04-15 |
Detector | DECTRIS PILATUS 200K |
Wavelength(s) | 1.5406 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 84.759, 76.426, 171.971 |
Unit cell angles | 90.00, 98.27, 90.00 |
Refinement procedure
Resolution | 13.078 - 2.800 |
Rwork | 0.216 |
R-free | 0.24330 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6b0z |
RMSD bond length | 0.004 |
RMSD bond angle | 1.227 |
Data reduction software | CrysalisPro |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 13.078 | 2.890 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.110 | 0.606 |
Number of reflections | 53443 | 4636 |
<I/σ(I)> | 8.8 | |
Completeness [%] | 99.0 | |
Redundancy | 4.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 315 | 24% PEG 3350, 8% Tacsimate pH 6.0 |