6L59
Crystal structure of the alpha gamma heterodimer of human IDH3 in complex with CIT, Mg and ATP binding at allosteric site and Mg, ATP binding at active site.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NFPSS BEAMLINE BL19U1 |
Synchrotron site | NFPSS |
Beamline | BL19U1 |
Temperature [K] | 99 |
Detector technology | PIXEL |
Collection date | 2019-04-10 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9999 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 111.964, 111.964, 145.578 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 32.321 - 2.254 |
R-factor | 0.2017 |
Rwork | 0.200 |
R-free | 0.22650 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5grh |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.300 |
High resolution limit [Å] | 2.254 | 6.130 | 2.260 |
Rmerge | 0.115 | 0.046 | 1.080 |
Rmeas | 0.118 | 0.047 | 1.107 |
Rpim | 0.026 | 0.011 | 0.242 |
Number of reflections | 50248 | 2700 | 2502 |
<I/σ(I)> | 4 | ||
Completeness [%] | 99.9 | 99.8 | 99.9 |
Redundancy | 19.9 | 17.1 | 20.7 |
CC(1/2) | 1.000 | 0.969 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 299 | 0.2 M sodium citrate, pH 5.5, and 24% (v/v) PEG400 |