6FM7
Crystal structure of the class C beta-lactamase TRU-1 from Aeromonas enteropelogenes in complex with avibactam
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-10-25 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9834 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.552, 78.248, 48.306 |
| Unit cell angles | 90.00, 106.54, 90.00 |
Refinement procedure
| Resolution | 46.310 - 1.040 |
| R-factor | 0.11735 |
| Rwork | 0.116 |
| R-free | 0.13623 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6fm6 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.424 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.330 | 1.100 |
| High resolution limit [Å] | 1.040 | 1.040 |
| Rmerge | 0.059 | 0.342 |
| Rmeas | 0.062 | 0.379 |
| Number of reflections | 153026 | 20705 |
| <I/σ(I)> | 17.6 | 4.7 |
| Completeness [%] | 98.7 | 91.8 |
| Redundancy | 7.5 | 5.3 |
| CC(1/2) | 0.999 | 0.934 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 25% wt/vol PEG-8000, 0.2 M ammonium sulfate and 0.1 M sodium cacodylate, pH 6.5 |
