1JEP
Chalcone Isomerase Complexed with 4'-hydroxyflavanone
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-1 |
| Synchrotron site | SSRL |
| Beamline | BL9-1 |
| Temperature [K] | 105 |
| Detector technology | IMAGE PLATE |
| Collection date | 2001-06-07 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.970 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 89.664, 89.664, 351.181 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 75.800 - 2.100 |
| Rwork | 0.206 |
| R-free | 0.23200 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | chi apoenzyme |
| RMSD bond length | 0.020 |
| RMSD bond angle | 2.000 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 75.800 | 2.140 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.061 | 0.617 |
| Number of reflections | 49786 | |
| <I/σ(I)> | 20.6 | 2.4 |
| Completeness [%] | 98.9 | 99.3 |
| Redundancy | 13.4 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 278 | glycerol, ammonium sulfate, PIPES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 278K |
