4C01
Complete crystal structure of carboxylesterase Cest-2923 (lp_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 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 244.886, 141.385, 82.695 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.205 - 2.300 |
R-factor | 0.228 |
Rwork | 0.225 |
R-free | 0.27920 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3d3n |
RMSD bond length | 0.008 |
RMSD bond angle | 1.163 |
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 | 2.340 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.140 | 0.660 |
Number of reflections | 124688 | |
<I/σ(I)> | 143.2 | 46.5 |
Completeness [%] | 99.9 | 100 |
Redundancy | 4.1 | 4.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 4.6 | 1.7 M AMMONIUM SULPHATE, 0.15 M SODIUM ACETATE, PH 4.6 |