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 |
