6PQ8
Crystal structure of TLA-1 S70G extended spectrum Beta-lactamase in complex with clavulanic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2018-10-17 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.9793326 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 99.410, 99.410, 99.470 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.890 - 2.200 |
| R-factor | 0.1859 |
| Rwork | 0.184 |
| R-free | 0.22580 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6nvu |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.915 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.890 | 2.300 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.080 | 1.460 |
| Rmeas | 0.082 | 1.490 |
| Number of reflections | 27771 | 1820 |
| <I/σ(I)> | 32.6 | |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 11.27 | |
| CC(1/2) | 1.000 | 0.814 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 291.5 | 2.4 M Ammonium Sulfate, 100 mM Sodium Phosphate dibasic / Citric acid pH 4.5 |
