4S2K
OXA-48 in complex with Avibactam at pH 7.5
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 | 142.780, 142.780, 52.420 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 42.250 - 2.100 |
R-factor | 0.1766 |
Rwork | 0.175 |
R-free | 0.20610 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3hbr |
RMSD bond length | 0.008 |
RMSD bond angle | 1.030 |
Data reduction software | MOSFLM |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 52.420 | 2.210 |
High resolution limit [Å] | 2.100 | 2.100 |
Number of reflections | 69650 | |
Completeness [%] | 99.8 | 100 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298.15 | 200mM tris pH 7.5, 0.1M ammonium chloride, 40% MPD, 5% PEG 8K, 100 mM NaCl, 2 mM avibactam, VAPOR DIFFUSION, SITTING DROP, temperature 298.15K |