7Z2V
Ferulic acid esterase variant S114A from Lactobacillus buchneri
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-12-15 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.97629 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 79.960, 79.960, 227.940 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.140 - 1.450 |
R-factor | 0.1675 |
Rwork | 0.167 |
R-free | 0.17710 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | L. buchneri FAE |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.410 | 1.500 |
High resolution limit [Å] | 1.450 | 1.450 |
Number of reflections | 130627 | 11811 |
<I/σ(I)> | 25.1 | 1.2 |
Completeness [%] | 99.3 | |
Redundancy | 22.5 | |
CC(1/2) | 1.000 | 0.526 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 295 | 0.1 M sodium cacodylate pH 6.5, 0.2 M calcium acetate, 18% PEG8000 |