8VHA
Crystal Structure of Human IDH1 R132Q in complex with NADPH and Alpha-Ketoglutarate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-1 |
| Synchrotron site | SSRL |
| Beamline | BL12-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-01-22 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | .97946 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 83.821, 104.860, 107.711 |
| Unit cell angles | 90.00, 98.19, 90.00 |
Refinement procedure
| Resolution | 39.150 - 2.280 |
| R-factor | 0.1701 |
| Rwork | 0.167 |
| R-free | 0.22230 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.923 |
| 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] | 39.150 | 2.360 |
| High resolution limit [Å] | 2.280 | 2.280 |
| Number of reflections | 82740 | 2247 |
| <I/σ(I)> | 10.65 | |
| Completeness [%] | 98.3 | |
| Redundancy | 2 | |
| CC(1/2) | 0.997 | 0.748 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.8 | 277.15 | 160mM NaNO3 and 20% W/V PEG 3350 |
