6L2G
Crystal structure of Aspergillus fumigatus mitochondrial acetyl-CoA acetyltransferase
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) | 0.979 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 61.513, 174.780, 179.120 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.840 - 2.410 |
R-factor | 0.2018 |
Rwork | 0.200 |
R-free | 0.25240 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2f2s |
RMSD bond length | 0.007 |
RMSD bond angle | 1.564 |
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] | 48.840 | 2.469 |
High resolution limit [Å] | 2.410 | 2.410 |
Rmerge | 0.053 | 0.559 |
Number of reflections | 73595 | 5143 |
<I/σ(I)> | 13.7 | |
Completeness [%] | 97.0 | |
Redundancy | 3.93 |
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 |