4EBL
BlaC E166A Faropenem Acyl-Intermediate Complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 120 |
| Detector technology | CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 78.792, 96.946, 109.526 |
| Unit cell angles | 90.00, 107.95, 90.00 |
Refinement procedure
| Resolution | 46.859 - 2.100 |
| R-factor | 0.1749 |
| Rwork | 0.173 |
| R-free | 0.20390 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.494 |
| Data reduction software | HKL-3000 |
| Data scaling software | SCALEPACK |
| Refinement software | PHENIX ((phenix.refine: 1.7.3_928)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.320 | 2.150 |
| High resolution limit [Å] | 2.100 | 2.270 | 2.100 |
| Rmerge | 0.125 | ||
| Number of reflections | 89782 | ||
| <I/σ(I)> | 16.1 | 5 | 2.3 |
| Completeness [%] | 99.6 | 100 | 99.6 |
| Redundancy | 5.1 | 5.1 | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 291 | pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
