5GWA
Crystal structure of TLA-3 extended-spectrum beta-lactamase in a complex with avibactam
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AichiSR BEAMLINE BL2S1 |
| Synchrotron site | AichiSR |
| Beamline | BL2S1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-03-04 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.12 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 95.939, 68.120, 45.330 |
| Unit cell angles | 90.00, 94.53, 90.00 |
Refinement procedure
| Resolution | 55.480 - 1.590 |
| R-factor | 0.16051 |
| Rwork | 0.159 |
| R-free | 0.19169 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5gs8 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.470 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0151) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 55.480 | 1.680 |
| High resolution limit [Å] | 1.590 | 1.590 |
| Rmerge | 0.044 | 0.204 |
| Number of reflections | 38600 | |
| <I/σ(I)> | 28.1 | 8.8 |
| Completeness [%] | 98.8 | 97.7 |
| Redundancy | 7.1 | 7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1M sodium citrate, 2.8M ammonium sulfate |
