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 |
