8WEU
Crystal structure of Feruoyl-CoA Synthetase 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 | 2019-04-06 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.97934 |
| Spacegroup name | I 41 2 2 |
| Unit cell lengths | 134.918, 134.918, 139.558 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 32.790 - 2.100 |
| R-factor | 0.20247 |
| Rwork | 0.200 |
| R-free | 0.25018 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.594 |
| 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 | 2.140 |
| High resolution limit [Å] | 2.100 | 5.700 | 2.100 |
| Rmerge | 0.107 | 0.065 | 0.299 |
| Rmeas | 0.114 | 0.069 | 0.331 |
| Rpim | 0.039 | 0.024 | 0.136 |
| Total number of observations | 236728 | ||
| Number of reflections | 36835 | 2035 | 1823 |
| <I/σ(I)> | 14.2 | ||
| Completeness [%] | 97.4 | 98.8 | 97.5 |
| Redundancy | 6.4 | 8.1 | 4.6 |
| CC(1/2) | 0.989 | 0.995 | 0.890 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | PEG 3350, Ammonium sulfate, Bis-Tris |
