4KE4
Elucidation of the structure and reaction mechanism of Sorghum bicolor hydroxycinnamoyltransferase and its structural relationship to other CoA-dependent transferases and synthases
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.1 |
| Synchrotron site | ALS |
| Beamline | 8.2.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-09-19 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.000000 |
| Spacegroup name | P 65 |
| Unit cell lengths | 135.947, 135.947, 64.039 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 44.500 - 2.012 |
| R-factor | 0.1836 |
| Rwork | 0.182 |
| R-free | 0.20710 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.012 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.6.1_357)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.083 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 44714 | |
| Completeness [%] | 99.9 | 94 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 277 | 0.1M MES monohydrate pH 6.0, 22% v/v PEG400, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
