6O2Y
Crystal structure of IDH1 R132H mutant in complex with compound 24
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-07-18 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0750 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 165.679, 63.496, 143.598 |
Unit cell angles | 90.00, 99.52, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.800 |
R-factor | 0.21199 |
Rwork | 0.209 |
R-free | 0.27450 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.565 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.900 |
High resolution limit [Å] | 2.800 | 2.800 |
Number of reflections | 36650 | |
<I/σ(I)> | 15.8 | |
Completeness [%] | 98.6 | |
Redundancy | 2.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 20% PEG MME 5000, 0.1 M Bicine pH 8.5, and 0.2 M Sodium formate. |