5WL8
Crystal structure of chalcone isomerase engineered from ancestral inference (epR4)
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 | 2015-06-25 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 65.940, 112.670, 71.760 |
| Unit cell angles | 90.00, 117.37, 90.00 |
Refinement procedure
| Resolution | 58.570 - 1.580 |
| R-factor | 0.17 |
| Rwork | 0.170 |
| R-free | 0.19330 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB:4DOI |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.929 |
| 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] | 58.570 |
| High resolution limit [Å] | 1.580 |
| Number of reflections | 126702 |
| <I/σ(I)> | 8.33 |
| Completeness [%] | 99.8 |
| Redundancy | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 277 | 29% PEG 4K, 2.5M ammonium formate, 50mM succinic acid |
