6DQH
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) | 0.7107 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 43.768, 68.601, 76.246 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.281 - 1.104 |
| R-factor | 0.1789 |
| Rwork | 0.178 |
| R-free | 0.19610 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6dn4 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.394 |
| Data reduction software | HKL-2000 |
| Data scaling software | XDS |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.900 | 1.120 |
| High resolution limit [Å] | 1.100 | 1.100 |
| Rmerge | 0.094 | 0.254 |
| Rpim | 0.030 | 0.417 |
| Number of reflections | 86879 | 2205 |
| <I/σ(I)> | 12.7 | 1.8 |
| Completeness [%] | 93.9 | 48.9 |
| Redundancy | 10.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 298 | 0.49 M NaH2PO4 0.91 M K2HPO4 |
