4S2N
OXA-48 in complex with Avibactam at pH 8.5
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08B1-1 |
| Synchrotron site | CLSI |
| Beamline | 08B1-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-06-13 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 32 |
| Unit cell lengths | 142.039, 142.039, 50.401 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 52.660 - 2.000 |
| R-factor | 0.19321 |
| Rwork | 0.192 |
| R-free | 0.22293 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3hbr |
| RMSD bond length | 0.022 |
| RMSD bond angle | 2.421 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0071) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 52.660 | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 76256 | |
| Completeness [%] | 99.2 | 99.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298.15 | 0.1M TRIS pH 8.5, 20% ethanol, 2mM avibactam, VAPOR DIFFUSION, SITTING DROP, temperature 298.15K |
