7COG
Cholesterol esterase from Burkholderia stabilis (monoclinic crystal form)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NE3A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NE3A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-06-22 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 186.292, 47.092, 70.082 |
| Unit cell angles | 90.00, 90.05, 90.00 |
Refinement procedure
| Resolution | 46.497 - 2.098 |
| R-factor | 0.2373 |
| Rwork | 0.219 |
| R-free | 0.25170 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ys1 |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.499 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.230 |
| High resolution limit [Å] | 2.098 | 2.098 |
| Rmeas | 0.122 | 0.552 |
| Number of reflections | 71702 | 11384 |
| <I/σ(I)> | 8.7 | 2.31 |
| Completeness [%] | 99.5 | |
| Redundancy | 3.36 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293 | sodium citrate, PEG4000, 2-propanol |
