6KE3
Crystal structure of the alpha bata heterodimer of human IDH3 in complex with NADH
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U1 |
| Synchrotron site | SSRF |
| Beamline | BL17U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-03-01 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 99.365, 162.669, 114.776 |
| Unit cell angles | 90.00, 100.38, 90.00 |
Refinement procedure
| Resolution | 42.164 - 3.307 |
| R-factor | 0.2527 |
| Rwork | 0.250 |
| R-free | 0.29940 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 3.420 |
| High resolution limit [Å] | 3.300 | 7.100 | 3.300 |
| Rmerge | 0.113 | 0.049 | 0.541 |
| Rmeas | 0.128 | 0.056 | 0.613 |
| Rpim | 0.060 | 0.027 | 0.279 |
| Total number of observations | 211050 | ||
| Number of reflections | 48488 | 5275 | 4775 |
| <I/σ(I)> | 7.9 | ||
| Completeness [%] | 91.3 | 97.6 | 89.9 |
| Redundancy | 4.4 | 4.3 | 4.6 |
| CC(1/2) | 0.996 | 0.784 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 289 | 0.05M a-KG,0.05M NADH, 0.2 M calcium acetate (pH 7.5) and 20% (w/v) PEG3350 |
