6QW8
Crystal structure of CTX-M-15 complexed with relebactam (16 hour soak)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-05-06 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.98 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 44.538, 45.563, 117.915 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.500 - 1.100 |
R-factor | 0.1156 |
Rwork | 0.115 |
R-free | 0.13130 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4hbt |
RMSD bond length | 0.014 |
RMSD bond angle | 1.461 |
Data reduction software | DIALS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.540 | 1.120 |
High resolution limit [Å] | 1.100 | 1.100 |
Rpim | 0.029 | 0.145 |
Number of reflections | 97874 | 4521 |
<I/σ(I)> | 19.3 | 5.9 |
Completeness [%] | 99.7 | |
Redundancy | 11.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 294.15 | 2.0 M ammonium sulphate, 0.1 M Tris 8.0 |