5WL4
Crystal structure of chalcone isomerase engineered from ancestral inference (ancR3)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.1 |
| Synchrotron site | ALS |
| Beamline | 8.2.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-10-15 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 69.220, 117.690, 71.850 |
| Unit cell angles | 90.00, 118.63, 90.00 |
Refinement procedure
| Resolution | 53.987 - 2.000 |
| R-factor | 0.1931 |
| Rwork | 0.192 |
| R-free | 0.21650 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB:4DOI |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.987 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 53.990 |
| High resolution limit [Å] | 2.000 |
| Number of reflections | 68082 |
| <I/σ(I)> | 11.7 |
| Completeness [%] | 100.0 |
| Redundancy | 7.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | 25% PEG 4K, 2.5mM ammonium formate, 100mM succinic acid |
