6KRI
Crystal Structure of Acyl-CoA Dehydrogenase FadE5 from Mycobacteria smegmatis with product released
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 | 2018-08-01 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 97.934, 205.903, 73.951 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.748 - 1.604 |
R-factor | 0.1678 |
Rwork | 0.167 |
R-free | 0.19080 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 0.883 |
Data reduction software | HKL-3000 |
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 | 1.630 |
High resolution limit [Å] | 1.600 | 4.340 | 1.600 |
Rmerge | 0.129 | 0.065 | 1.289 |
Rmeas | 0.140 | 0.070 | 1.419 |
Rpim | 0.054 | 0.027 | 0.587 |
Total number of observations | 1263335 | ||
Number of reflections | 194416 | 10270 | 9648 |
<I/σ(I)> | 5 | ||
Completeness [%] | 99.6 | 99.4 | 100 |
Redundancy | 6.5 | 6.6 | 5.8 |
CC(1/2) | 0.994 | 0.450 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 5.5 | 298 | 2M (NH4)2SO4, 2% (v/V) PEG400, 0.1M Acetate |