3QDQ
Complex between 4-hydroxybutyrate CoA-transferase from Clostridium aminobutyricum and CoA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-02-16 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 42 2 2 |
| Unit cell lengths | 118.215, 118.215, 87.392 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.600 |
| R-factor | 0.22091 |
| Rwork | 0.218 |
| R-free | 0.27354 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3gk7 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.680 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.690 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.128 | 0.601 |
| Number of reflections | 18410 | |
| <I/σ(I)> | 14.7 | 3.2 |
| Completeness [%] | 96.8 | 94.5 |
| Redundancy | 4.3 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | CRYSTALLIZATION CONDITIONS: 0.1 M SPERMIDINE, 20% PEG 550 MME, 0.1M HEPES, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
