7COF
Cholesterol esterase from Burkholderia stabilis (orthorhombic crystal form)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-17A |
| Synchrotron site | Photon Factory |
| Beamline | BL-17A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-12-05 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.9800 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 58.241, 61.365, 147.177 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 32.012 - 1.084 |
| R-factor | 0.0988 |
| Rwork | 0.098 |
| R-free | 0.11810 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ys1 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.314 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.150 |
| High resolution limit [Å] | 1.080 | 1.080 |
| Rmeas | 0.040 | 0.220 |
| Number of reflections | 103889 | 11081 |
| <I/σ(I)> | 28.9 | 7.13 |
| Completeness [%] | 93.0 | 62 |
| Redundancy | 6.02 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | Imidazole, PEG2250, 2-propanol |
