4C2J
Crystal structure of human mitochondrial 3-ketoacyl-CoA thiolase in complex with CoA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-06-17 |
Detector | ADSC CCD |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 54.650, 197.160, 79.950 |
Unit cell angles | 90.00, 103.72, 90.00 |
Refinement procedure
Resolution | 46.740 - 2.000 |
R-factor | 0.1738 |
Rwork | 0.172 |
R-free | 0.20252 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1dm3 |
RMSD bond length | 0.014 |
RMSD bond angle | 1.510 |
Data reduction software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.740 | 2.100 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.080 | 0.400 |
Number of reflections | 110210 | |
<I/σ(I)> | 13.72 | 3.72 |
Completeness [%] | 99.8 | 99.9 |
Redundancy | 3.8 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.6 | 100 MM MES PH 6.6, 14% MME-PEG 5000 |