9ZO2
Toho-1 Beta Lactamase in complex with Avibactam
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-09-01 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 72.670, 72.670, 97.928 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 36.340 - 1.150 |
| R-factor | 0.1344 |
| Rwork | 0.134 |
| R-free | 0.15120 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.098 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.21.1_5286) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.650 | 1.210 |
| High resolution limit [Å] | 1.150 | 1.150 |
| Number of reflections | 104187 | 15347 |
| <I/σ(I)> | 17.6 | |
| Completeness [%] | 97.7 | |
| Redundancy | 5.5 | |
| CC(1/2) | 0.990 | 0.890 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 293 | Crystals were grown at 20 C using 30 micro litres of 10 mg/ml protein concentration in a solution containing 2.0 M ammonium sulfate and 0.2 M sodium citrate using the batch method. |
