4BZZ
Complete crystal structure of carboxylesterase Cest-2923 from Lactobacillus plantarum WCFS1
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 |
| Detector | ADSC CCD |
| Spacegroup name | P 6 2 2 |
| Unit cell lengths | 140.721, 140.721, 82.290 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 46.062 - 3.000 |
| R-factor | 0.1547 |
| Rwork | 0.152 |
| R-free | 0.20780 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB EBTRY 3D3N |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.042 |
| 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] | 49.000 | 3.150 |
| High resolution limit [Å] | 2.990 | 2.990 |
| Rmerge | 0.120 | 0.470 |
| Number of reflections | 9994 | |
| <I/σ(I)> | 13.7 | 4.1 |
| Completeness [%] | 99.6 | 98.9 |
| Redundancy | 7.5 | 7.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.6 | 1.7 M AMMONIUM SULPHATE, 0.15 M SODIUM ACETATE, PH 4.6 |
