2VU2
Biosynthetic thiolase from Z. ramigera. Complex with S-pantetheine-11- pivalate.
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 | P 1 21 1 |
Unit cell lengths | 84.320, 79.150, 150.790 |
Unit cell angles | 90.00, 92.92, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.650 |
R-factor | 0.23331 |
Rwork | 0.231 |
R-free | 0.28571 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1dlu |
RMSD bond length | 0.011 |
RMSD bond angle | 1.219 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.720 |
High resolution limit [Å] | 2.650 | 2.650 |
Rmerge | 0.100 | 0.320 |
Number of reflections | 57985 | |
<I/σ(I)> | 11.8 | 3.5 |
Completeness [%] | 95.2 | 98.4 |
Redundancy | 3.2 | 2.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5 | pH 5 |