6KDY
Crystal structure of the alpha bata heterodimer of human IDH3 in complex with NAD.
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 | 2019-02-01 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 99.460, 162.979, 114.407 |
| Unit cell angles | 90.00, 100.31, 90.00 |
Refinement procedure
| Resolution | 48.928 - 3.020 |
| R-factor | 0.1995 |
| Rwork | 0.197 |
| R-free | 0.24590 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6kde |
| 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 | 3.130 |
| High resolution limit [Å] | 3.001 | 6.500 | 3.020 |
| Rmerge | 0.080 | 0.028 | 0.505 |
| Rmeas | 0.095 | 0.033 | 0.601 |
| Rpim | 0.051 | 0.018 | 0.323 |
| Number of reflections | 71108 | 7200 | 7104 |
| <I/σ(I)> | 8.5 | ||
| Completeness [%] | 99.8 | 99.3 | 99.9 |
| Redundancy | 3.4 | 3.2 | 3.4 |
| CC(1/2) | 0.999 | 0.785 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 289 | 0.05M ICT, 0.05M NAD, 0.2 M calcium acetate (pH 7.5) and 20% (w/v) PEG3350 |
