3RKK
Crystal Structure of New Delhi Metallo-Beta-Lactamase-1 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 | 2011-04-15 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 59.760, 50.862, 70.717 |
| Unit cell angles | 90.00, 106.98, 90.00 |
Refinement procedure
| Resolution | 40.650 - 2.350 |
| R-factor | 0.212 |
| Rwork | 0.208 |
| R-free | 0.28300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.615 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX ((phenix.refine: 1.7_650)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.390 |
| High resolution limit [Å] | 2.350 | 2.350 |
| Rmerge | 0.144 | 0.448 |
| Number of reflections | 16892 | |
| <I/σ(I)> | 5.9 | 2 |
| Completeness [%] | 97.6 | 80.9 |
| Redundancy | 3.8 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289 | 0.17 M Ammonium sulfate 25.5 % (w/v) PEG 4000, 15 % (v/v) Glycerol, 5 mM zinc acetate, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
