6KS9
Crystal Structure of E447A Acyl-CoA Dehydrogenase FadE5 mutant from Mycobacteria smegmatis
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 | 2018-10-07 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.978 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 97.692, 205.245, 73.936 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.846 - 2.001 |
R-factor | 0.1688 |
Rwork | 0.168 |
R-free | 0.18850 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.606 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.030 |
High resolution limit [Å] | 2.000 | 5.430 | 2.000 |
Rmerge | 0.131 | 0.049 | 0.828 |
Rmeas | 0.138 | 0.051 | 0.870 |
Rpim | 0.041 | 0.015 | 0.267 |
Total number of observations | 1119738 | ||
Number of reflections | 100685 | 5391 | 4995 |
<I/σ(I)> | 5 | ||
Completeness [%] | 100.0 | 99.9 | 100 |
Redundancy | 11.1 | 10.7 | 10.5 |
CC(1/2) | 0.999 | 0.802 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 7 | 298 | 0.1 M Hepes sodium (pH 7.0), 2% v/v PEG 400, and 2 M (NH4)2SO4 |