5B1U
Crystal Structure of Metallo-beta-Lactamase SMB-1 Bound to Hydrolyzed Imipenem
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NE3A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NE3A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-12-03 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 1 |
| Unit cell lengths | 37.030, 41.460, 45.440 |
| Unit cell angles | 108.32, 102.78, 106.28 |
Refinement procedure
| Resolution | 40.580 - 1.570 |
| R-factor | 0.12406 |
| Rwork | 0.122 |
| R-free | 0.15472 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3vpe |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.433 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0107) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.580 | 1.650 |
| High resolution limit [Å] | 1.570 | 1.570 |
| Rmerge | 0.079 | |
| Number of reflections | 30412 | |
| <I/σ(I)> | 19 | 11.9 |
| Completeness [%] | 93.6 | 92.7 |
| Redundancy | 3.3 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | PEG5000, Lithium sulfate, Tris-Hydrochloride |
