3SRX
New Delhi Metallo-beta-Lactamase-1 Complexed with Cd
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) | 0.97935 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 108.945, 108.945, 237.883 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 49.526 - 2.500 |
| R-factor | 0.178 |
| Rwork | 0.175 |
| R-free | 0.21200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB ID 3Q6X |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.273 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: dev_761)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.540 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Number of reflections | 28517 | |
| <I/σ(I)> | 8.1 | 1.8 |
| Completeness [%] | 95.7 | 88.4 |
| Redundancy | 5.6 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289 | 0.2 M Potassium thiocyanate, 20 % w/v Polyethylene glycol 3,350, 10 mM Cadmium Chloride, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
