4YRD
Crystal structure of CapF with inhibitor 3-isopropenyl-tropolone
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-5A |
| Synchrotron site | Photon Factory |
| Beamline | BL-5A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-12-11 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.000 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 78.580, 194.620, 158.360 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 52.800 - 2.440 |
| R-factor | 0.23102 |
| Rwork | 0.229 |
| R-free | 0.26091 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3st7 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.630 |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 52.800 | 2.570 |
| High resolution limit [Å] | 2.440 | 2.440 |
| Rmerge | 0.129 | 0.576 |
| Number of reflections | 42336 | |
| <I/σ(I)> | 8.8 | 2.8 |
| Completeness [%] | 93.4 | 89 |
| Redundancy | 6.1 | 5.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 298 | Sodium cacodylate 100mM, Potassium phosphate 200mM, PEG 3350 18% |
