3KVU
Structural basis of the activity and substrate specificity of the fluoroacetyl-CoA FlK - T42S mutant in complex with Acetyl-CoA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.980, 55.970, 96.410 |
| Unit cell angles | 90.00, 96.87, 90.00 |
Refinement procedure
| Resolution | 31.910 - 2.000 |
| R-factor | 0.21981 |
| Rwork | 0.216 |
| R-free | 0.29467 |
| Starting model (for MR) | 1hnn |
| RMSD bond length | 0.038 |
| RMSD bond angle | 2.991 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.900 | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 32361 | |
| Completeness [%] | 99.0 | 99 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | Tris HCl peg 4000 acetyl-CoA, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
