8EO5
Crystal structure of the class A beta-lactamase precursor LRA-5 from an Alaskan soil metagenome at 1.8 Angstrom resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 2 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-10-16 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.980112 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 74.270, 162.620, 71.000 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.940 - 1.800 |
R-factor | 0.1903 |
Rwork | 0.189 |
R-free | 0.21520 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1e25 |
RMSD bond length | 0.017 |
RMSD bond angle | 1.474 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHENIX (1.19.2_4158) |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.940 | 1.910 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmeas | 0.131 | 2.172 |
Number of reflections | 80573 | 12790 |
<I/σ(I)> | 15.57 | 1.4 |
Completeness [%] | 99.9 | 99.5 |
Redundancy | 13.5 | 13.77 |
CC(1/2) | 0.990 | 0.556 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.2 | 294 | 13% PEG 20,000 + 0.1M Tris pH 8.2 + 0.1 M magnesium chloride |