6BPF
CTX-M-151 class A extended-spectrum beta-lactamase crystal structure in complex with avibactam at 1.32 Angstrom resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 2 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-12-11 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.980100 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 95.590, 41.940, 56.360 |
Unit cell angles | 90.00, 94.09, 90.00 |
Refinement procedure
Resolution | 47.673 - 1.318 |
R-factor | 0.1889 |
Rwork | 0.188 |
R-free | 0.21260 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3bfc |
RMSD bond length | 0.006 |
RMSD bond angle | 0.941 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX (1.8.4_1496) |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.673 | 1.400 |
High resolution limit [Å] | 1.318 | 1.320 |
Rmerge | 0.065 | 0.800 |
Rmeas | 0.071 | 0.919 |
Number of reflections | 52411 | 8155 |
<I/σ(I)> | 14.32 | 1.32 |
Completeness [%] | 99.2 | 96.1 |
Redundancy | 6.44 | 5.68 |
CC(1/2) | 0.999 | 0.838 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 294 | 21% PEG 8000, 0.1 M Hepes pH 7.8 |