6NC5
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 | 2018-09-14 |
| Detector | DECTRIS PILATUS 300K |
| Wavelength(s) | 0.7107 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 53.468, 74.946, 76.095 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.047 - 2.074 |
| R-factor | 0.1931 |
| Rwork | 0.190 |
| R-free | 0.22380 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6dqh |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.549 |
| Data reduction software | HKL-2000 |
| Data scaling software | XDS |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.14_3260: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.750 | 2.520 |
| High resolution limit [Å] | 2.070 | 2.070 |
| Rmerge | 0.076 | 0.689 |
| Rpim | 0.048 | 0.441 |
| Number of reflections | 19081 | 1376 |
| <I/σ(I)> | 126532 | |
| Completeness [%] | 98.0 | 87.8 |
| Redundancy | 5 | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 298 | 0.49 M NaH2PO4 0.91 M K2HPO4 |
