5WL6
Crystal structure of chalcone isomerase engineered from ancestral inference (AncR7)
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 | 2016-09-28 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 1 |
| Unit cell lengths | 38.180, 49.570, 63.100 |
| Unit cell angles | 98.68, 92.02, 107.90 |
Refinement procedure
| Resolution | 28.137 - 1.600 |
| R-factor | 0.1773 |
| Rwork | 0.176 |
| R-free | 0.21160 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB:4DOI |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.206 |
| 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] | 62.140 |
| High resolution limit [Å] | 1.600 |
| Number of reflections | 54777 |
| <I/σ(I)> | 10.2 |
| Completeness [%] | 95.8 |
| Redundancy | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 277 | 500mM NaCl, 100mM NaCitrate tribasic dihydrate, 2% ethylene imine polymer |
