6L3S
Crystal structure of metallo-beta-lactamase IMP-27 from Morganella morganii
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 | 2016-11-22 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 47.590, 71.250, 136.210 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.570 - 1.700 |
| R-factor | 0.1795 |
| Rwork | 0.178 |
| R-free | 0.20020 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ubq |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.696 |
| Data scaling software | SCALA (3.3.22) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 68.110 | 68.110 | 1.790 |
| High resolution limit [Å] | 1.700 | 5.380 | 1.700 |
| Rmerge | 0.091 | 0.052 | 0.498 |
| Rmeas | 0.098 | 0.055 | 0.057 |
| Rpim | 0.037 | 0.021 | 0.022 |
| Total number of observations | 365524 | 12100 | 53327 |
| Number of reflections | 51881 | 1823 | 7438 |
| <I/σ(I)> | 13.4 | 25.8 | 3.7 |
| Completeness [%] | 100.0 | 99.8 | 100 |
| Redundancy | 7 | 6.6 | 7.2 |
| CC(1/2) | 0.998 | 0.998 | 0.927 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9 | 283 | PEG 4000,Tris-HCl,magnesium chloride |
