7QQQ
SpCas9 bound to AAVS1 off-target4 DNA substrate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-12-12 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 1 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 177.990, 67.910, 187.819 |
| Unit cell angles | 90.00, 111.22, 90.00 |
Refinement procedure
| Resolution | 46.030 - 2.650 |
| R-factor | 0.1918 |
| Rwork | 0.189 |
| R-free | 0.23530 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5fq5 |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.632 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.030 | 2.750 |
| High resolution limit [Å] | 2.650 | 2.650 |
| Rmerge | 0.150 | 1.820 |
| Number of reflections | 60873 | 6027 |
| <I/σ(I)> | 9.8 | 1 |
| Completeness [%] | 99.3 | 99.5 |
| Redundancy | 6.3 | 6.4 |
| CC(1/2) | 0.997 | 0.451 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293.15 | 0.1 M Tris-acetate pH 8.5, 0.3-0.5 M KSCN, 17-19% PEG3350 |
