6K4X
Crystal structure of SMB-1 metallo-beta-lactamase in a complex with ASB
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-5A |
| Synchrotron site | Photon Factory |
| Beamline | BL-5A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-05-20 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 1 |
| Unit cell lengths | 36.997, 41.682, 45.660 |
| Unit cell angles | 108.75, 102.79, 105.86 |
Refinement procedure
| Resolution | 33.500 - 1.170 |
| R-factor | 0.13049 |
| Rwork | 0.129 |
| R-free | 0.15053 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5b1u |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.453 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.190 |
| High resolution limit [Å] | 1.170 | 1.170 |
| Rmerge | 0.041 | 0.087 |
| Number of reflections | 73794 | 2884 |
| <I/σ(I)> | 37.3 | |
| Completeness [%] | 93.1 | 71.4 |
| Redundancy | 3.5 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2M lithium sulfate, 0.1M Tris-HCl (pH 8.5), 20% PEG 4000 |
