7CYS
Crystal structure of barley agmatine coumaroyltransferase (HvACT), an N-acyltransferase in BAHD superfamily
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-5A |
| Synchrotron site | Photon Factory |
| Beamline | BL-5A |
| Temperature [K] | 95 |
| Detector technology | PIXEL |
| Collection date | 2020-06-23 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 57.632, 59.521, 73.627 |
| Unit cell angles | 90.00, 91.28, 90.00 |
Refinement procedure
| Resolution | 46.326 - 1.810 |
| Rwork | 0.191 |
| R-free | 0.20330 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6dd2 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.354 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MoRDa |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.850 |
| High resolution limit [Å] | 1.810 | 1.810 |
| Rmerge | 0.036 | |
| Number of reflections | 44594 | 2201 |
| <I/σ(I)> | 16.3 | 2.2 |
| Completeness [%] | 97.8 | 82.5 |
| Redundancy | 3.1 | 2 |
| CC(1/2) | 0.999 | 0.914 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.08 M sodium cacodylate, pH 6.5, 0.16 M magnesium acetate, 16% (w/v) polyethylene glycol 8,000, and 20% (v/v) glycerol |
