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 |