11FA
Crystal structure of human Malonyl-CoA Decarboxylase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LNLS SIRIUS BEAMLINE MANACA |
| Synchrotron site | LNLS SIRIUS |
| Beamline | MANACA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2025-10-23 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.9772 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 91.925, 176.748, 152.416 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.170 - 3.250 |
| R-factor | 0.2595 |
| Rwork | 0.257 |
| R-free | 0.30140 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.445 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21.2_5419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.170 | 3.420 |
| High resolution limit [Å] | 3.249 | 3.250 |
| Rmerge | 0.142 | 2.762 |
| Rmeas | 0.153 | 2.979 |
| Rpim | 0.057 | 1.107 |
| Number of reflections | 19932 | 5400 |
| <I/σ(I)> | 9.46 | 0.64 |
| Completeness [%] | 99.8 | 99.72 |
| Redundancy | 7.1 | 7.2 |
| CC(1/2) | 0.999 | 0.232 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.2 Mammonium tartrate dibasic 20% w/v polyethylene glycol (PEG) 3350 |
