5EGN
Est816 as an N-Acyl homoserine lactone degrading enzyme
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-04-11 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.98 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 109.806, 78.545, 116.472 |
Unit cell angles | 90.00, 99.37, 90.00 |
Refinement procedure
Resolution | 44.817 - 2.636 |
R-factor | 0.2216 |
Rwork | 0.219 |
R-free | 0.26400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2xua |
RMSD bond length | 0.003 |
RMSD bond angle | 0.729 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | BALBES |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.720 |
High resolution limit [Å] | 2.630 | 2.630 |
Rmerge | 0.140 | 0.518 |
Number of reflections | 57955 | |
<I/σ(I)> | 9.4 | 2.7 |
Completeness [%] | 99.8 | 99.8 |
Redundancy | 3.7 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 298 | 28% PEG 3350, 0.1M sodium acetate pH 5.6, 0.2M sodium chloride |