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 |