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 |
