8D94
SAMHD1-DNA complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-2 |
| Synchrotron site | SSRL |
| Beamline | BL12-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-03-18 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97946 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 75.116, 179.936, 79.792 |
| Unit cell angles | 90.00, 108.95, 90.00 |
Refinement procedure
| Resolution | 38.980 - 2.440 |
| R-factor | 0.1915 |
| Rwork | 0.190 |
| R-free | 0.24300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3u1n |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.492 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.660 |
| High resolution limit [Å] | 2.440 | 2.570 |
| Number of reflections | 64915 | 5448 |
| <I/σ(I)> | 12.4 | 2.22 |
| Completeness [%] | 98.6 | 98.2 |
| Redundancy | 6.2 | 5.8 |
| CC(1/2) | 0.980 | 0.680 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 100 mM Tris-HCl pH 7.5, 150 mM CaCl2, 20% PEG 3350, and 4% 2-methyl-2,4-pentanediol (MPD) |
