5B15
Crystal Structure of Metallo-beta-Lactamase SMB-1 Bound to Hydrolyzed Doripenem
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AichiSR BEAMLINE BL2S1 |
| Synchrotron site | AichiSR |
| Beamline | BL2S1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-03-24 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.12 |
| Spacegroup name | P 1 |
| Unit cell lengths | 37.010, 40.920, 45.320 |
| Unit cell angles | 107.57, 102.56, 107.01 |
Refinement procedure
| Resolution | 40.700 - 1.390 |
| R-factor | 0.13761 |
| Rwork | 0.136 |
| R-free | 0.15829 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3vpe |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.589 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0107) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.700 | 1.470 |
| High resolution limit [Å] | 1.390 | 1.390 |
| Rmerge | 0.040 | 0.072 |
| Number of reflections | 39572 | |
| <I/σ(I)> | 12.8 | 1.9 |
| Completeness [%] | 86.6 | 84.7 |
| Redundancy | 1.9 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | PEG4000, Ammonium sulfate, Tris-Hydrochloride |
