1JX1
Chalcone Isomerase--T48A mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-1 |
| Synchrotron site | SSRL |
| Beamline | BL9-1 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2001-06-18 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 65 |
| Unit cell lengths | 90.940, 90.940, 349.990 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 79.100 * - 2.300 |
| Rwork | 0.230 |
| R-free | 0.28600 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | wild-type chalcone isomerase with alanine at position 48 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.400 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 79.100 * | 2.400 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.068 * | 0.486 * |
| Total number of observations | 326009 * | |
| Number of reflections | 63669 | |
| <I/σ(I)> | 12 | 1.3 |
| Completeness [%] | 88.1 | 70.3 |
| Redundancy | 5.1 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 * | 4 * | glycerol, ammonium sulfate, Tris-HCl, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | glycerol | 25 (%(v/v)) | |
| 2 | 1 | reservoir | ammonium sulfate | 2.2 (M) | |
| 3 | 1 | reservoir | HEPES | 0.1 (M) | pH7.5 |
