6DQ2
Cronobacter sakazakii (Enterobacter sakazakii) Metallo-beta-lactamse HARLDQ motif mutant S60
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 32 2 1 |
| Unit cell lengths | 74.406, 74.406, 107.471 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 35.156 - 2.158 |
| R-factor | 0.1904 |
| Rwork | 0.186 |
| R-free | 0.22820 |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.569 |
| 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] | 35.160 | 2.220 |
| High resolution limit [Å] | 2.158 | 2.160 |
| Rmerge | 0.095 | 0.701 |
| Rpim | 0.083 | 0.638 |
| Number of reflections | 18134 | 17897 |
| <I/σ(I)> | 10.9 | |
| Completeness [%] | 99.7 | 93 |
| Redundancy | 3.2 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 298 | 0.49 M NaH2PO4 0.91 M K2HPO4 |
