8I4P
crystal structure of Acyl-CoA dehydrogenase from Thermobifida fusca
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 7A (6B, 6C1) |
Synchrotron site | PAL/PLS |
Beamline | 7A (6B, 6C1) |
Temperature [K] | 293 |
Detector technology | CCD |
Collection date | 2022-05-07 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.97934 |
Spacegroup name | I 41 2 2 |
Unit cell lengths | 101.721, 101.721, 311.936 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.730 - 1.900 |
R-factor | 0.18024 |
Rwork | 0.179 |
R-free | 0.19624 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.013 |
RMSD bond angle | 1.852 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.930 |
High resolution limit [Å] | 1.900 | 5.160 | 1.900 |
Rmerge | 0.076 | 0.051 | 0.347 |
Rmeas | 0.080 | 0.054 | 0.377 |
Rpim | 0.024 | 0.015 | 0.143 |
Total number of observations | 592579 | ||
Number of reflections | 64134 | 3483 | 3143 |
<I/σ(I)> | 11.1 | ||
Completeness [%] | 98.8 | 98.7 | 98.6 |
Redundancy | 9.2 | 11.9 | 5.9 |
CC(1/2) | 0.995 | 0.996 | 0.805 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | Ammonium sulfate Sodium citrate Potassium sodium tartrate tetrahydrate |