8Q41
Crystal structure of Can2 (E341A) bound to cA4 and TTTAAA ssDNA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 80 |
| Detector technology | PIXEL |
| Collection date | 2022-04-07 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 55.009, 79.322, 95.430 |
| Unit cell angles | 90.00, 94.85, 90.00 |
Refinement procedure
| Resolution | 49.330 - 2.380 |
| R-factor | 0.1887 |
| Rwork | 0.186 |
| R-free | 0.23540 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.651 |
| Data reduction software | XDS (20220110) |
| Data scaling software | autoPROC (20230726) |
| Phasing software | PHASER (2.7.16) |
| Refinement software | PHENIX (1.20_4459) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.330 | 2.465 |
| High resolution limit [Å] | 2.380 | 2.380 |
| Rmerge | 0.058 | 0.389 |
| Rmeas | 0.063 | 0.420 |
| Rpim | 0.024 | 0.156 |
| Number of reflections | 29023 | 3265 |
| <I/σ(I)> | 21.16 | 5.01 |
| Completeness [%] | 88.0 | 99.97 |
| Redundancy | 6.8 | 7.2 |
| CC(1/2) | 0.999 | 0.947 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293.15 | 50 mM Tris pH 8, 17.1% (v/v) PEG 550 MME, 4.3% (w/v) PEG 2000 |
