1KYZ
Crystal Structure Analysis of Caffeic acid/5-hydroxyferulic acid 3/5-O-methyltransferase Ferulic Acid Complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2001-02-12 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.08 |
| Spacegroup name | P 1 2 1 |
| Unit cell lengths | 103.729, 61.865, 111.229 |
| Unit cell angles | 90.00, 112.18, 90.00 |
Refinement procedure
| Resolution | 99.000 * - 2.100* |
| R-factor | 0.236 |
| Rwork | 0.236 |
| R-free | 0.27400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | partial seleno-methionine model (unpublished) |
| RMSD bond length | 0.006 |
| RMSD bond angle | 21.600 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 99.000 | 2.230 |
| High resolution limit [Å] | 2.100 | 2.190 |
| Rmerge | 0.049 * | 0.510 * |
| Total number of observations | 388692 * | |
| Number of reflections | 88232 * | |
| Completeness [%] | 98.0 * | 99 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 * | 4 * | PEG 8000, calcium acetate, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | HEPES-Na | 25 (mM) | pH7.5 |
| 2 | 1 | drop | 100 (mM) | ||
| 3 | 1 | drop | dithiothreitol | 1 (mM) | |
| 4 | 1 | drop | protein | 25 (mg/ml) | |
| 5 | 1 | reservoir | PEG8000 | 12 (%(w/v)) | |
| 6 | 1 | reservoir | TAPS-Na+ | 0.05 (M) | pH8.5 |
| 7 | 1 | reservoir | calcium acetate | 0.25 (M) | |
| 8 | 1 | reservoir | dithiothreitol | 2. (mM) |
