6L2C
Crystal structure of Aspergillus fumigatus mitochondrial acetyl-CoA acetyltransferase in complex with CoA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-06-19 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.93927 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 63.254, 173.546, 180.318 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.670 - 2.440 |
| R-factor | 0.2061 |
| Rwork | 0.203 |
| R-free | 0.25680 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2f2s |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.764 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0232) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.670 | 2.530 |
| High resolution limit [Å] | 2.440 | 2.440 |
| Rmerge | 0.072 | 0.072 |
| Number of reflections | 74187 | 74187 |
| <I/σ(I)> | 12.9 | |
| Completeness [%] | 99.2 | |
| Redundancy | 3.59 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.1 M HEPES pH 7.0, 2 M ammonium sulphate |
