5X5G
Crystal structure of TLA-3 extended-spectrum beta-lactamase in a complex with OP0595
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 | 2015-12-11 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.12 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 95.190, 67.910, 45.320 |
| Unit cell angles | 90.00, 94.60, 90.00 |
Refinement procedure
| Resolution | 55.220 - 2.000 |
| R-factor | 0.16313 |
| Rwork | 0.161 |
| R-free | 0.20860 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5gs8 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.477 |
| 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] | 55.220 | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.074 | 0.295 |
| Number of reflections | 18894 | |
| <I/σ(I)> | 20 | 6.6 |
| Completeness [%] | 97.0 | 95.6 |
| Redundancy | 7.5 | 7.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1M sodium citrate, 2.8M ammonium sulfate |
