6DR8
Metallo-beta-lactamase from Cronobacter sakazakii (Enterobacter sakazakii) HARLDQ motif mutant S60/R118H/Q121H/K254H
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 | 43.767, 69.151, 77.523 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.575 - 1.476 |
| R-factor | 0.1339 |
| Rwork | 0.132 |
| R-free | 0.16670 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6dn4 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.945 |
| 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] | 43.770 | 1.500 |
| High resolution limit [Å] | 1.476 | 1.480 |
| Rmerge | 0.158 | 0.107 |
| Rpim | 0.064 | 0.455 |
| Number of reflections | 39943 | 1589 |
| <I/σ(I)> | 10.1 | 2 |
| Completeness [%] | 99.0 | 81 |
| Redundancy | 6.9 | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 298 | 0.49 M NaH2PO4 0.91 M K2HPO4 |
