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 |