4EBN
BlaC Amoxicillin Acyl-Intermediate Complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 120 |
| Detector technology | CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 79.567, 96.672, 109.808 |
| Unit cell angles | 90.00, 107.52, 90.00 |
Refinement procedure
| Resolution | 47.263 - 2.850 |
| R-factor | 0.2146 |
| Rwork | 0.213 |
| R-free | 0.24400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2gdn |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.662 |
| Data reduction software | DENZO |
| 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 | 3.210 | 2.900 |
| High resolution limit [Å] | 2.850 | 3.140 | 2.850 |
| Number of reflections | 37239 | ||
| <I/σ(I)> | 12.04 | 5.1 | 2.1 |
| Completeness [%] | 99.9 | 99.9 | 99.9 |
| Redundancy | 5.1 | 5.1 | 5.1 |
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 |
