8ITS
Crystal structure of DUF-3268 k-junction
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-12-17 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97851 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 79.540, 38.730, 49.800 |
| Unit cell angles | 90.00, 125.83, 90.00 |
Refinement procedure
| Resolution | 20.190 - 1.940 |
| R-factor | 0.2028 |
| Rwork | 0.202 |
| R-free | 0.22000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.001 |
| RMSD bond angle | 0.332 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.190 | 1.990 |
| High resolution limit [Å] | 1.940 | 1.940 |
| Rmerge | 0.123 | 0.724 |
| Rpim | 0.080 | 0.626 |
| Number of reflections | 8884 | 494 |
| <I/σ(I)> | 7.9 | 1.5 |
| Completeness [%] | 96.2 | 74 |
| Redundancy | 5.8 | |
| CC(1/2) | 0.994 | 0.536 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 291 | 0.1 M Magnesium acetate, 30% v/v 2-Methyl-2,4-pentanediol, 0.5 M Sodium Fluoride |
