3KW1
Structural basis of the activity and substrate specificity of the fluoroacetyl-CoA FlK - Wild type FlK in complex with FAcOPan
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 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 78.840, 71.547, 102.507 |
| Unit cell angles | 90.00, 102.92, 90.00 |
Refinement procedure
| Resolution | 40.960 - 1.900 |
| R-factor | 0.21218 |
| Rwork | 0.209 |
| R-free | 0.26948 |
| Starting model (for MR) | 1hnn |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.891 |
| 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] | 52.340 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Number of reflections | 82906 | |
| Completeness [%] | 94.5 | 94 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9.5 | 298 | CHES tri-sodium citrate, pH 9.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
