5AXO
Crystal Structure of Metallo-beta-Lactamase SMB-1 Bound to Hydrolyzed Meropenem
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 | 36.900, 41.170, 45.320 |
| Unit cell angles | 107.95, 102.46, 106.85 |
Refinement procedure
| Resolution | 40.620 - 1.390 |
| R-factor | 0.13839 |
| Rwork | 0.137 |
| R-free | 0.16313 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3vpe |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.562 |
| 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] | 40.620 | 1.470 |
| High resolution limit [Å] | 1.390 | 1.390 |
| Rmerge | 0.046 | 0.063 |
| Number of reflections | 39458 | |
| <I/σ(I)> | 11.2 | 1.9 |
| Completeness [%] | 86.2 | 86 |
| Redundancy | 1.9 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | PEG 4000, Lithium sulfate, Tris-Hydrochloride |
