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 |