6K4S
Crystal structure of xCas9 in complex with sgRNA and DNA (TGC PAM)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 85 |
| Detector technology | CCD |
| Collection date | 2018-09-21 |
| Detector | AGILENT EOS CCD |
| Wavelength(s) | 0.9785 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 177.464, 70.364, 188.899 |
| Unit cell angles | 90.00, 110.42, 90.00 |
Refinement procedure
| Resolution | 49.250 - 3.010 |
| R-factor | 0.23934 |
| Rwork | 0.237 |
| R-free | 0.28531 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4un3 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.659 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.110 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rpim | 0.071 | 0.578 |
| Number of reflections | 43368 | 4176 |
| <I/σ(I)> | 12 | |
| Completeness [%] | 98.8 | 96.9 |
| Redundancy | 6.5 | 5.5 |
| CC(1/2) | 1.000 | 0.543 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 289 | 0.2 M Ammonium phosphate dibasic, 20% w/v Polyethylene glycol 3,350 |
