8GJU
Crystal structure of human methylmalonyl-CoA mutase (MMUT) in complex with methylmalonic acidemia type A protein (MMAA), coenzyme A, and GDP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 80 |
| Detector technology | PIXEL |
| Collection date | 2021-11-02 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.033 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 95.806, 221.872, 121.824 |
| Unit cell angles | 90.00, 105.53, 90.00 |
Refinement procedure
| Resolution | 80.620 - 2.790 |
| R-factor | 0.2315 |
| Rwork | 0.229 |
| R-free | 0.27610 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2www |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.633 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 117.000 | 3.074 |
| High resolution limit [Å] | 2.700 | 2.794 |
| Rmerge | 0.137 | 0.775 |
| Rpim | 0.092 | 0.504 |
| Number of reflections | 74830 | 2737 |
| <I/σ(I)> | 5.2 | |
| Completeness [%] | 89.0 | |
| Redundancy | 3.1 | |
| CC(1/2) | 0.991 | 0.562 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | Morpheus1-F11 (Molecular Dimensions): 120 mM monosaccharides mix, 100 mM buffer system 3, pH 8.5, 30% precipitant mix 3 |
