6MGX
Crystal Structure of the New Deli Metallo Beta Lactamase Variant 6 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 | 2013-07-05 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97915 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 70.715, 73.901, 78.068 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.034 - 2.600 |
| R-factor | 0.2118 |
| Rwork | 0.209 |
| R-free | 0.26010 |
| Starting model (for MR) | 4hl2 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.987 |
| 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 | 2.640 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.166 | 0.693 |
| Number of reflections | 12723 | 618 |
| <I/σ(I)> | 9 | 2.23 |
| Completeness [%] | 97.5 | 98.9 |
| Redundancy | 3.6 | 3.4 |
| CC(1/2) | 0.731 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 289 | 0.1 M Sodium Citrate, 20% (w/v) PEG 4000, 20% (v/v) 2-Propanol |
