3BFF
class A beta-lactamase SED-G238C complexed with faropenem
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-11-16 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.984 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 187.116, 73.244, 103.504 |
| Unit cell angles | 90.00, 121.69, 90.00 |
Refinement procedure
| Resolution | 28.800 - 1.900 |
| R-factor | 0.189 |
| Rwork | 0.180 |
| R-free | 0.20500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3bfd |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.300 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Number of reflections | 90973 | |
| <I/σ(I)> | 13.2 | 3.9 |
| Completeness [%] | 97.2 | 93.4 |
| Redundancy | 3.8 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | 35% PEG MME 2000, 200mM KSCN, 100mM sodium cacodylate pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
