5OLU
The crystal structure of a highly thermostable carboxyl esterase from Bacillus coagulans in complex with glycerol
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-08-29 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 1 |
Spacegroup name | P 63 2 2 |
Unit cell lengths | 137.644, 137.644, 83.636 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 39.734 - 1.800 |
R-factor | 0.1486 |
Rwork | 0.148 |
R-free | 0.16920 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3pe6 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.856 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | BALBES |
Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 1.840 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.113 | 0.589 |
Number of reflections | 43646 | 2545 |
<I/σ(I)> | 34.9 | |
Completeness [%] | 99.9 | 99.8 |
Redundancy | 39.1 | 37.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | Hampton Crystal Screen 2 condition 42. 1.5 M ammonium sulfate, 12% glycerol and 0.1 M Tris-HCl, pH 8.0 |