7DTP
Crystal structure of agmatine coumaroyltransferase from Triticum aestivum
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NW12A |
| Temperature [K] | 95 |
| Detector technology | PIXEL |
| Collection date | 2020-10-30 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 63.074, 77.420, 92.122 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.948 - 2.300 |
| Rwork | 0.233 |
| R-free | 0.25640 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7cys |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.342 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.340 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.131 | 0.927 |
| Number of reflections | 20776 | 1033 |
| <I/σ(I)> | 14.2 | 1.9 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.4 | 6.6 |
| CC(1/2) | 0.993 | 0.782 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 100 mM MMT buffer pH 6.5, 25 % (w/v) PEG 1500 |
