4RAW
Crystal Structure of New Delhi Metallo-beta-Lactamase-1 Mutant M67V Complexed with Hydrolyzed Ampicillin
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 | 2012-08-22 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97926 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 39.114, 78.769, 133.815 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.409 - 1.302 |
| R-factor | 0.131 |
| Rwork | 0.130 |
| R-free | 0.16080 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDBID 3Q6X |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.275 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX ((phenix.refine: dev_1745)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.320 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Number of reflections | 98575 | |
| <I/σ(I)> | 28.5 | 2.09 |
| Completeness [%] | 96.5 | 74.1 |
| Redundancy | 5.7 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 289 | 0.2 M sodium chloride, 0.1 M tris pH 7.0, 30 %(w/v) PEG 3000, 5 mM cadmium chloride, 200mg/ml ampicillin, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
