5O7G
The crystal structure of a highly thermostable carboxyl esterase from Bacillus coagulans
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-07-30 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1 |
| Spacegroup name | P 63 2 2 |
| Unit cell lengths | 138.608, 138.608, 83.770 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 39.895 - 1.900 |
| R-factor | 0.2178 |
| Rwork | 0.217 |
| R-free | 0.23840 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3pe6 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.996 |
| 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 | 1.940 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.087 | 0.504 |
| Number of reflections | 37667 | 2359 |
| <I/σ(I)> | 26.8 | 7.8 |
| Completeness [%] | 99.8 | 99.5 |
| Redundancy | 19.4 | 20.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | PACT Premier Crystallization screen (Molecular Dimensions) condition 2-11 (20% PEG3350; 0.1M sodium citrate tribasic hydrate) |
