2QDT
Structural Basis for the Broad-Spectrum Inhibition of Metallo-{Beta}-Lactamases: L1- IS38 Complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | OTHER |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2006-01-20 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.54179 |
| Spacegroup name | P 64 2 2 |
| Unit cell lengths | 105.319, 105.319, 97.960 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 26.540 - 2.000 |
| R-factor | 0.17106 |
| Rwork | 0.170 |
| R-free | 0.19249 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1sml |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.406 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | CCP4 |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.110 |
| High resolution limit [Å] | 1.860 | 2.000 |
| Rmerge | 0.084 | 0.404 |
| Number of reflections | 21311 | |
| <I/σ(I)> | 28.1 | 5.5 |
| Completeness [%] | 96.5 | 94.2 |
| Redundancy | 13.7 | 11 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 280 | PEG, AS, PH 6.50, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 100K, temperature 280K |
