6ADI
Crystal Structures of IDH2 R140Q in complex with AG-881
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-11-04 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97852 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 57.781, 118.419, 126.082 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.607 - 1.969 |
R-factor | 0.2069 |
Rwork | 0.206 |
R-free | 0.22640 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5i96 |
RMSD bond length | 0.018 |
RMSD bond angle | 1.661 |
Data reduction software | DENZO |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.000 |
High resolution limit [Å] | 1.950 | 1.950 |
Rpim | 0.037 | 0.281 |
Number of reflections | 64048 | 3936 |
<I/σ(I)> | 22.3 | |
Completeness [%] | 96.7 | |
Redundancy | 6.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.2M Sodium chloride, 0.1M BIS-TRIS pH 6.5, 25%(w/v) Polyethylene glycol 3,350 |