8GRU
Crystal structure of a constitutively active mutant of the alpha beta heterodimer of human IDH3 in complex with ICT, NAD and Ca
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NFPSS BEAMLINE BL19U1 |
Synchrotron site | NFPSS |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-06-28 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9786 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 134.043, 163.833, 163.129 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.958 - 2.847 |
R-factor | 0.2112 |
Rwork | 0.208 |
R-free | 0.26330 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6kdf |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX (1.14_3260) |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.950 |
High resolution limit [Å] | 2.847 | 6.140 | 2.850 |
Rmerge | 0.237 | 0.092 | 0.963 |
Rmeas | 0.246 | 0.096 | 1.007 |
Rpim | 0.068 | 0.027 | 0.293 |
Number of reflections | 42112 | 4417 | 4144 |
<I/σ(I)> | 2.7 | ||
Completeness [%] | 99.9 | 99.9 | 99.9 |
Redundancy | 12.8 | 12.6 | 11.2 |
CC(1/2) | 0.999 | 0.836 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 0.2 M sodium malonate (pH 6.0), 20% (w/v) PEG 3350, 40 mM ICT, 40 mM NAD and 5 mM Ca2+ |