6DN4
Cronobacter sakazakii (Enterobacter sakazakii) Metallo-beta-lactamse HARLDQ motif
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-06-20 |
| Detector | DECTRIS PILATUS 200K |
| Wavelength(s) | 0.71073 |
| Spacegroup name | I 4 |
| Unit cell lengths | 84.580, 84.580, 74.982 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.290 - 1.990 |
| R-factor | 0.1476 |
| Rwork | 0.144 |
| R-free | 0.18270 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1sml |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.599 |
| Data reduction software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.290 | 2.044 |
| High resolution limit [Å] | 1.990 | 1.990 |
| Rmerge | 0.138 | |
| Rpim | 0.053 | |
| Number of reflections | 18134 | 18134 |
| <I/σ(I)> | 12 | |
| Completeness [%] | 99.7 | 99.69 |
| Redundancy | 7.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 298 | 0.49 M NaH2PO4 0.91 M K2HPO4 |
