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 |