6YI4
Structure of IMP-13 metallo-beta-lactamase complexed with citrate anion
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 90 |
| Detector technology | PIXEL |
| Collection date | 2020-02-09 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 47.675, 90.467, 88.522 |
| Unit cell angles | 90.00, 100.85, 90.00 |
Refinement procedure
| Resolution | 46.866 - 1.700 |
| Rwork | 0.180 |
| R-free | 0.21290 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6r78 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.670 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.866 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Number of reflections | 80810 | 8035 |
| <I/σ(I)> | 6.4 | |
| Completeness [%] | 99.7 | |
| Redundancy | 5.7 | |
| CC(1/2) | 0.998 | 0.720 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | Ammonium acetate, Na citrate, PEG 4000 |
