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 |