6WI5
De novo designed protein Foldit4
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 | 2020-03-10 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.99993 |
| Spacegroup name | I 41 2 2 |
| Unit cell lengths | 64.027, 64.027, 221.412 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.360 - 1.830 |
| R-factor | 0.2486 |
| Rwork | 0.247 |
| R-free | 0.27130 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Designed Model |
| RMSD bond length | 0.001 |
| RMSD bond angle | 0.334 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.18rc2_3793) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.400 | 1.880 |
| High resolution limit [Å] | 1.830 | 1.830 |
| Rmerge | 0.097 | 2.917 |
| Number of reflections | 20876 | 1508 |
| <I/σ(I)> | 11.2 | 1.5 |
| Completeness [%] | 99.7 | 100 |
| Redundancy | 9.5 | 9.8 |
| CC(1/2) | 0.998 | 0.766 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.09 MNPS, 0.1 M Sodium HEPES; MOPS, pH 7.5 and 30% P500MME_P20K |
