9BZQ
Structure of Class A Beta-lactamase from Bordetella bronchiseptica RB50 in a complex with Avibactam
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 | PIXEL |
| Collection date | 2019-04-11 |
| Detector | DECTRIS PILATUS3 X 6M |
| Wavelength(s) | 0.97935 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 36.223, 79.463, 42.939 |
| Unit cell angles | 90.00, 108.17, 90.00 |
Refinement procedure
| Resolution | 26.010 - 1.470 |
| R-factor | 0.1256 |
| Rwork | 0.124 |
| R-free | 0.15470 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.826 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.500 |
| High resolution limit [Å] | 1.470 | 1.470 |
| Rmerge | 0.036 | 0.079 |
| Rpim | 0.016 | 0.040 |
| Number of reflections | 39292 | 1936 |
| <I/σ(I)> | 48.8 | |
| Completeness [%] | 99.8 | 98.4 |
| Redundancy | 4.9 | 3.8 |
| CC(1/2) | 0.992 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289 | 0.1 M Succinic acid pH 7.0; 15% (v/v) PEG 3350 |
