8EO7
Crystal structure of metagenomic beta-lactamase LRA-5 Y69Q/V166E mutant at 2.15 Angstrom resolution
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 | 2021-09-29 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.97625 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 73.861, 162.236, 70.277 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.560 - 2.150 |
R-factor | 0.2264 |
Rwork | 0.225 |
R-free | 0.24780 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1e25 |
RMSD bond length | 0.005 |
RMSD bond angle | 0.964 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MrBUMP |
Refinement software | PHENIX ((1.17.1_3660: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.580 | 2.220 |
High resolution limit [Å] | 2.150 | 2.150 |
Rmerge | 0.250 | 2.721 |
Rmeas | 0.260 | 2.823 |
Rpim | 0.070 | 0.750 |
Number of reflections | 46812 | 4010 |
<I/σ(I)> | 7.3 | 1.1 |
Completeness [%] | 100.0 | 100 |
Redundancy | 13.5 | 13.9 |
CC(1/2) | 0.997 | 0.687 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 10.5 | 294 | 1.50 M sodium formate |