6EX7
Crystal structure of NDM-1 metallo-beta-lactamase in complex with Cd ions and a hydrolyzed beta-lactam ligand - new refinement
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 | 2012-08-08 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97934 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 145.062, 39.220, 75.233 |
| Unit cell angles | 90.00, 99.99, 90.00 |
Refinement procedure
| Resolution | 74.200 - 1.950 |
| R-factor | 0.19608 |
| Rwork | 0.195 |
| R-free | 0.22588 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.582 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 74.200 | 2.000 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Number of reflections | 27008 | |
| <I/σ(I)> | 15.6 | 2.2 |
| Completeness [%] | 91.7 | 66 |
| Redundancy | 2.9 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289 | 0.2 M ammonium sulfate, 0.1 M Bis-Tris pH 5.5, 25 % PEG 3350, 5 mM CdCl2,10 mM faropenum, temperature 289K |
