6S0H
Structure of IMP-13 metallo-beta-lactamase complexed with hydrolysed doripenem
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 | 2018-12-06 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 1 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 61.430, 72.318, 62.933 |
Unit cell angles | 90.00, 111.72, 90.00 |
Refinement procedure
Resolution | 45.510 - 2.850 |
R-factor | 0.2301 |
Rwork | 0.228 |
R-free | 0.26260 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.593 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.510 | 2.950 |
High resolution limit [Å] | 2.840 | 2.840 |
Number of reflections | 12023 | 1188 |
<I/σ(I)> | 11.57 | |
Completeness [%] | 98.8 | |
Redundancy | 6.8 | |
CC(1/2) | 0.998 | 0.626 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M Sodium HEPES pH 7.5, 25% PEG 2000 MME |