8D9J
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 | 75.430, 179.678, 79.891 |
| Unit cell angles | 90.00, 109.00, 90.00 |
Refinement procedure
| Resolution | 39.050 - 2.820 |
| R-factor | 0.1851 |
| Rwork | 0.182 |
| R-free | 0.24210 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3u1n |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.511 |
| 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 | 2.930 |
| High resolution limit [Å] | 2.820 | 2.850 |
| Number of reflections | 47336 | 3958 |
| <I/σ(I)> | 8.1 | |
| Completeness [%] | 99.2 | 99.4 |
| Redundancy | 6.8 | 6.5 |
| CC(1/2) | 0.980 | 0.550 |
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) |
