8EHH
Crystal structure of the class A extended-spectrum beta-lactamase CTX-M-96 in complex with relebactam at 1.03 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 | 2021-10-16 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.885601 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 44.480, 45.590, 117.670 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.510 - 1.030 |
R-factor | 0.1393 |
Rwork | 0.139 |
R-free | 0.15500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3zny |
RMSD bond length | 0.010 |
RMSD bond angle | 1.188 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHENIX (1.19.2_4158) |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.510 | 1.067 |
High resolution limit [Å] | 1.030 | 1.030 |
Rmeas | 0.050 | 0.200 |
Number of reflections | 117183 | 17282 |
<I/σ(I)> | 30.09 | 7 |
Completeness [%] | 98.5 | 90.8 |
Redundancy | 11.7 | 7.2 |
CC(1/2) | 0.990 | 0.970 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.9 | 294 | 1.55 M sodium chloride + 1.55 M ammonium sulfate |