4S2J
OXA-48 in complex with Avibactam at pH 6.5
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 21 21 21 |
Unit cell lengths | 64.050, 108.100, 162.810 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 65.030 - 2.540 |
R-factor | 0.18568 |
Rwork | 0.184 |
R-free | 0.22215 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.489 |
Data reduction software | MOSFLM |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0071) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 65.030 | 2.650 |
High resolution limit [Å] | 2.540 | 2.540 |
Number of reflections | 34471 | |
Completeness [%] | 91.2 | 91.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298.15 | 1.8 M (NH4)2SO4, 0.1 M MES pH 6.5, 10 mM CoCl2, 2mM avibactam, VAPOR DIFFUSION, SITTING DROP, temperature 298.15K |