1FP1
CRYSTAL STRUCTURE ANALYSIS OF CHALCONE O-METHYLTRANSFERASE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 105 |
| Detector technology | IMAGE PLATE |
| Collection date | 2000-03-31 |
| Detector | MARRESEARCH |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 125.119, 53.793, 73.390 |
| Unit cell angles | 90.00, 124.92, 90.00 |
Refinement procedure
| Resolution | 36.690 - 1.820 |
| R-factor | 0.226 |
| Rwork | 0.226 |
| R-free | 0.26300 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.200 |
| 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 | 1.850 |
| High resolution limit [Å] | 1.820 | 1.820 |
| Rmerge | 0.050 | 0.660 |
| Total number of observations | 94322 * | |
| Number of reflections | 32682 | |
| <I/σ(I)> | 25.6 | |
| Completeness [%] | 90.6 | 48 * |
| Redundancy | 2.88 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | PEG 8000, ammonium acetate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 4K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | PEG8000 | 12 (%(w/v)) | |
| 2 | 1 | reservoir | HEPES | 0.05 (M) | |
| 3 | 1 | reservoir | ammonium acetate | 0.3 (M) | |
| 4 | 1 | reservoir | dithiothreitol | 2 (mM) |
