1FM8
CHALCONE ISOMERASE COMPLEXED WITH 5,4'-DIDEOXYFLAVANONE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 105 |
| Detector technology | CCD |
| Collection date | 2000-06-10 |
| Detector | ADSC QUANTUM 4 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 89.848, 89.848, 352.956 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 41.000 - 2.300 |
| R-factor | 0.238 * |
| Rwork | 0.238 |
| R-free | 0.26600 |
| Structure solution method | Difference Fourier |
| Starting model (for MR) | Chi apoenzyme |
| RMSD bond length | 0.007 * |
| RMSD bond angle | 1.300 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 * | 2.340 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.048 | 0.556 |
| Total number of observations | 658360 * | |
| Number of reflections | 38919 * | |
| <I/σ(I)> | 19.6 | 1.8 |
| Completeness [%] | 98.0 * | 99.1 |
| Redundancy | 17.3 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 4 * | 1.8-2.0 M ammonium sulfate, 25% glycerol, 0.05 M PIPES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 25 (mg/ml) | |
| 2 | 1 | reservoir | glycerol | 25 (%(v/v)) | |
| 3 | 1 | reservoir | ethanol | 5 (%(v/v)) | |
| 4 | 1 | reservoir | ammonium sulfate | 2.0 (M) | |
| 5 | 1 | reservoir | PIPES | 50 (mM) | pH6.5 |
| 6 | 1 | reservoir | 4,2'-dihydroxychalcone | 2 (mM) |
