1WL5
Human cytosolic acetoacetyl-CoA thiolase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE X13 |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | X13 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | MARRESEARCH |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 57.850, 109.880, 155.640 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.260 |
R-factor | 0.14432 |
Rwork | 0.142 |
R-free | 0.19420 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | CoA complex |
RMSD bond length | 0.015 |
RMSD bond angle | 1.460 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | AMoRE |
Refinement software | REFMAC (5.2.0000) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.300 |
High resolution limit [Å] | 2.260 | 2.260 |
Number of reflections | 23254 | |
<I/σ(I)> | 11.1 | 3.4 |
Completeness [%] | 98.2 | 99.3 |
Redundancy | 3.4 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5 | 295 | ammonium sulfate, lithium sulfate, pH 5, VAPOR DIFFUSION, SITTING DROP, temperature 295K |