4BZW
Complete crystal structure of the carboxylesterase Cest-2923 (lp_2923) from Lactobacillus plantarum WCFS1
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 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 63 2 2 |
| Unit cell lengths | 141.655, 141.655, 165.742 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 46.367 - 2.148 |
| R-factor | 0.1576 |
| Rwork | 0.156 |
| R-free | 0.19550 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3d3n |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.000 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.300 | 2.260 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.130 | 0.510 |
| Number of reflections | 53876 | |
| <I/σ(I)> | 17.2 | 6.1 |
| Completeness [%] | 99.9 | 99.2 |
| Redundancy | 19.5 | 18 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.6 | 1.7 M AMMONIUM SULPHATE, 0.15 M SODIUM ACETATE, PH 4.6 |
