8PEB
OXA-48_Q5. 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 | 2021-04-18 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9763 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 94.401, 42.544, 64.304 |
Unit cell angles | 90.00, 106.88, 90.00 |
Refinement procedure
Resolution | 24.950 - 1.170 |
R-factor | 0.1651 |
Rwork | 0.165 |
R-free | 0.18720 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.163 |
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] | 24.950 | 1.190 |
High resolution limit [Å] | 1.170 | 1.170 |
Rmerge | 0.067 | 0.798 |
Rmeas | 0.086 | 1.244 |
Rpim | 0.041 | 0.615 |
Number of reflections | 82172 | 4063 |
<I/σ(I)> | 8.7 | |
Completeness [%] | 99.7 | 99.9 |
Redundancy | 4.3 | 4 |
CC(1/2) | 0.996 | 0.521 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9 | 277 | 0.1 M Tris, pH 9.0 (Sigma-Aldrich) 28-30% polyethylene glycol (PEG) mono ethylene ether 500 (Sigma-Aldrich) |