6MH0
Crystal Structure of the New Deli Metallo Beta Lactamase Variant 3 from Klebsiella pneumoniae
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-06-27 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97929 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 39.185, 78.699, 130.790 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.537 - 1.650 |
| R-factor | 0.1694 |
| Rwork | 0.168 |
| R-free | 0.20510 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.750 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.537 | 1.680 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.055 | 0.671 |
| Number of reflections | 49437 | 2262 |
| <I/σ(I)> | 25.4 | 2 |
| Completeness [%] | 99.5 | 92 |
| Redundancy | 7 | 4.3 |
| CC(1/2) | 0.743 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.2 | 289 | 0.2 M Na/K phosphate pH6.2, 2.5 M NaCl |
