6RZS
Structure of IMP-13 metallo-beta-lactamase complexed with hydrolysed ertapenem
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-02-11 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 1 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 54.688, 48.105, 92.574 |
Unit cell angles | 90.00, 105.73, 90.00 |
Refinement procedure
Resolution | 18.820 - 2.200 |
R-factor | 0.2017 |
Rwork | 0.200 |
R-free | 0.23790 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6r78 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.417 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER (2.8.3) |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 18.820 | 18.820 | 2.260 |
High resolution limit [Å] | 2.200 | 9.060 | 2.200 |
Rmerge | 0.151 | 0.054 | 1.002 |
Total number of observations | 77735 | 1044 | 6185 |
Number of reflections | 23338 | 326 | 1938 |
<I/σ(I)> | 6.6 | 16.5 | 1.9 |
Completeness [%] | 97.8 | 88.9 | 94.7 |
Redundancy | 3.3 | 3.2 | 3.2 |
CC(1/2) | 0.986 | 0.995 | 0.397 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M tri-Sodium acetate pH 5.6, 0.2 M Ammonium acetate, 30% PEG 4000 |