5GS8
Crystal structure of TLA-3 extended-spectrum beta-lactamase
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 | 2015-07-16 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.12 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 94.850, 67.930, 45.060 |
| Unit cell angles | 90.00, 94.17, 90.00 |
Refinement procedure
| Resolution | 55.180 - 1.590 |
| R-factor | 0.13643 |
| Rwork | 0.135 |
| R-free | 0.16046 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1e25 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.506 |
| 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] | 55.180 | 1.680 |
| High resolution limit [Å] | 1.590 | 1.590 |
| Rmerge | 0.051 | 0.181 |
| Number of reflections | 38203 | |
| <I/σ(I)> | 24.7 | 9.4 |
| Completeness [%] | 99.8 | 99.6 |
| Redundancy | 7.1 | 6.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1M sodium citrate, 2.8M ammonium sulfate |
