6MGY
Crystal Structure of the New Deli Metallo Beta Lactamase Variant 5 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 | 2013-12-05 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97915 |
| Spacegroup name | P 1 |
| Unit cell lengths | 46.869, 69.619, 68.789 |
| Unit cell angles | 92.26, 103.36, 88.52 |
Refinement procedure
| Resolution | 30.555 - 1.600 |
| R-factor | 0.1551 |
| Rwork | 0.153 |
| R-free | 0.18870 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.969 |
| 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] | 50.000 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.056 | 0.334 |
| Number of reflections | 102867 | 3263 |
| <I/σ(I)> | 9.9 | 2.2 |
| Completeness [%] | 92.8 | 58.5 |
| Redundancy | 2.1 | 1.9 |
| CC(1/2) | 0.811 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 289 | 0.1 M potassium thiocyante, 30 %(w/v) PEGMME 2000 |
