8PEC
OXA-48_Q5-CAZ. Epistasis Arises from Shifting the Rate-Limiting Step during Enzyme Evolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID30B |
Synchrotron site | ESRF |
Beamline | ID30B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-04-17 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9763 |
Spacegroup name | P 61 |
Unit cell lengths | 202.147, 202.147, 55.699 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 24.390 - 2.660 |
R-factor | 0.2055 |
Rwork | 0.202 |
R-free | 0.27070 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.053 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 24.390 | 2.780 |
High resolution limit [Å] | 2.660 | 2.660 |
Rmerge | 0.108 | 1.555 |
Rmeas | 0.129 | 1.846 |
Rpim | 0.052 | 0.761 |
Number of reflections | 37514 | 4578 |
<I/σ(I)> | 9.1 | |
Completeness [%] | 99.2 | 100 |
Redundancy | 6.1 | 6.3 |
CC(1/2) | 0.997 | 0.367 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9 | 277 | 0.1 M Tris, pH 9.0 28-30% polyethylene glycol (PEG) mono ethylene ether 500 |