3SFP
Crystal Structure of the Mono-Zinc-boundform 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 | 2011-06-09 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.2825 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 97.944, 97.944, 187.547 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.406 - 2.270 |
| R-factor | 0.183 |
| Rwork | 0.181 |
| R-free | 0.23600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDBID 3Q6X |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.331 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX ((phenix.refine: dev_761)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.310 |
| High resolution limit [Å] | 2.270 | 2.270 |
| Number of reflections | 42642 | |
| <I/σ(I)> | 6.3 | 2 |
| Completeness [%] | 99.1 | 98.1 |
| Redundancy | 3.7 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 289 | 0.7 M Ammonium sulfate, 25.5 % (w/v) PEG 4000, 15 % (v/v) Glycerol, 10 mM zinc chloride, 10 mM citrate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
