8SKM
Wild type chlorogenic acid esterase from Lactobacillus helveticus
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-2 |
Synchrotron site | SSRL |
Beamline | BL12-2 |
Temperature [K] | 77 |
Detector technology | PIXEL |
Collection date | 2022-01-20 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 180.549, 110.292, 75.979 |
Unit cell angles | 90.00, 111.49, 90.00 |
Refinement procedure
Resolution | 35.910 - 2.200 |
R-factor | 0.1774 |
Rwork | 0.176 |
R-free | 0.20890 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 0.956 |
Data reduction software | DIALS |
Data scaling software | DIALS |
Phasing software | PHASER |
Refinement software | PHENIX ((1.19.2_4158: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 37.920 | 2.279 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.571 | 1.645 |
Rpim | 0.196 | 0.559 |
Number of reflections | 649288 | 6651 |
<I/σ(I)> | 7.54 | 0.7 |
Completeness [%] | 99.0 | 94.97 |
Redundancy | 9.3 | 9.5 |
CC(1/2) | 0.926 | 0.339 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 298 | citric acid, PEG 6000, lithium chloride |