4EV4
Crystal structure of serratia fonticola carbapenemase SFC-1 E166A mutant with the acylenzyme intermediate of meropenem
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-07-21 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97630 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 59.185, 61.955, 79.127 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.640 - 1.300 |
| R-factor | 0.116 |
| Rwork | 0.114 |
| R-free | 0.15500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4eqi |
| RMSD bond length | 0.014 |
| RMSD bond angle | 0.031 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.350 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmerge | 0.070 | 0.285 |
| Number of reflections | 68435 | |
| <I/σ(I)> | 29.7 | 5 |
| Completeness [%] | 94.7 | 67.1 |
| Redundancy | 11.9 | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | Na acetate, PEG 3350, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
