5KJT
Crystal structure of Arabidopsis thaliana HCT in complex with p-coumaroyl-CoA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.2 |
| Synchrotron site | ALS |
| Beamline | 8.2.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-11-16 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.979482 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 99.190, 99.190, 84.630 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 49.595 - 2.500 |
| R-factor | 0.186 |
| Rwork | 0.183 |
| R-free | 0.24280 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.601 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 49.600 |
| High resolution limit [Å] | 2.500 |
| Rmerge | 0.090 |
| Number of reflections | 16893 |
| <I/σ(I)> | 13.8 |
| Completeness [%] | 99.5 |
| Redundancy | 6.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.24 | 277.15 | 0.5 M ammonium acetate, 0.1M MOPSO-NaOH, pH 7.24, 18% PEG 8000. Substrate soaking drops consisted of 10% (v/v) 100 mM p-coumaroyl-CoA in resevoir solution |
