8WEV
Crystal structure of Feruoyl-CoA Synthetase complexed with AMP from Amycolatopsis thermoflava
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 | 2019-04-20 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.97934 |
Spacegroup name | I 21 21 21 |
Unit cell lengths | 114.764, 132.100, 161.995 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 31.490 - 2.290 |
R-factor | 0.20151 |
Rwork | 0.199 |
R-free | 0.26139 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.534 |
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 | 2.340 |
High resolution limit [Å] | 2.290 | 6.240 | 2.300 |
Rmerge | 0.067 | 0.046 | 0.273 |
Rmeas | 0.072 | 0.049 | 0.302 |
Rpim | 0.025 | 0.017 | 0.126 |
Number of reflections | 54605 | 2803 | 2652 |
<I/σ(I)> | 15.9 | ||
Completeness [%] | 99.0 | 95.7 | 97.8 |
Redundancy | 7.2 | 8 | 4.9 |
CC(1/2) | 0.997 | 0.997 | 0.939 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 1%(w/v) PEG 3350, Ammonium sulfate, Bis-Tris |