5JD3
Crystal structure of LAE5, an alpha/beta hydrolase enzyme from the metagenome of Lake Arreo, Spain
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-12-11 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97918 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 66.591, 129.452, 129.848 |
Unit cell angles | 90.00, 97.49, 90.00 |
Refinement procedure
Resolution | 29.725 - 2.300 |
R-factor | 0.1864 |
Rwork | 0.184 |
R-free | 0.23590 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3rjt |
RMSD bond length | 0.004 |
RMSD bond angle | 0.684 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | MrBUMP |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.725 | 2.340 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.125 | 0.543 |
Number of reflections | 93738 | |
<I/σ(I)> | 9.86 | |
Completeness [%] | 96.9 | 93.4 |
Redundancy | 3.6 | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298 | 0.1 M Tris pH 8.5, 0.2 M ammonium sulfate, 25% (w/v) PEG3350, 1/70 chymotrypsin |