6LQ7
Crystal Structure of E447A Acyl-CoA Dehydrogenase FadE5 mutant from Mycobacteria smegmatis in complex with C17CoA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-11-17 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.9875 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 98.070, 206.769, 74.023 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.655 - 1.900 |
R-factor | 0.1525 |
Rwork | 0.150 |
R-free | 0.19080 |
Structure solution method | FOURIER SYNTHESIS |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | FFT |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 19.655 | 19.655 | 1.950 |
High resolution limit [Å] | 1.900 | 8.500 | 1.900 |
Rmerge | 0.155 | 0.037 | 1.283 |
Rmeas | 0.161 | 0.038 | 1.333 |
Total number of observations | 1604386 | ||
Number of reflections | 118764 | 1380 | 8746 |
<I/σ(I)> | 15.06 | 53.16 | 2.42 |
Completeness [%] | 99.6 | 90.4 | 100 |
Redundancy | 13.509 | 13.125 | 13.776 |
CC(1/2) | 0.998 | 0.999 | 0.834 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 289 | 0.1 M Hepes sodium (pH 7.0), 2% v/v PEG 400, 2 M (NH4)2SO4, 1 mM FAD and 1.2 mM C17CoA |