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 |