8VHE
Crystal Structure of Human IDH1 R132Q in Complex with NADPH-TCEP Adduct
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-E |
| Synchrotron site | APS |
| Beamline | 24-ID-E |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-06-30 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | .979180 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 84.298, 107.348, 109.941 |
| Unit cell angles | 90.00, 99.19, 90.00 |
Refinement procedure
| Resolution | 108.530 - 2.160 |
| R-factor | 0.174 |
| Rwork | 0.171 |
| R-free | 0.22330 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.884 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 108.530 | 2.180 |
| High resolution limit [Å] | 2.160 | 2.160 |
| Number of reflections | 101627 | 1247 |
| <I/σ(I)> | 13 | |
| Completeness [%] | 98.0 | |
| Redundancy | 3 | |
| CC(1/2) | 0.992 | 0.835 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 277.15 | 200 mM KSCN, 24% (w/v) PEG 6000, and 5 mM TCEP |
