7A5Y
Crystal structure of tetrameric human H215A-SAMHD1 (residues 109-626) with Rp-dGTP-alphaS (T8T) and Mg
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-01-27 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 80.193, 181.263, 286.331 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 153.150 - 2.290 |
| R-factor | 0.2117 |
| Rwork | 0.210 |
| R-free | 0.24030 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6tx0 |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.915 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER (2.7.17) |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 153.150 | 153.200 | 2.450 |
| High resolution limit [Å] | 2.290 | 6.920 | 2.290 |
| Rmerge | 0.265 | 0.083 | 1.536 |
| Rmeas | 0.287 | 0.091 | 1.668 |
| Rpim | 0.110 | 0.035 | 0.646 |
| Number of reflections | 145900 | 7294 | 7295 |
| <I/σ(I)> | 6.3 | 16.1 | 1.6 |
| Completeness [%] | 92.6 | 99.8 | 57.6 |
| Redundancy | 6.7 | 6.4 | 6.5 |
| CC(1/2) | 0.989 | 0.995 | 0.546 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293 | 0.1 M Bistris methane-HCl pH 6, 15% (w/v) PEG 3350, 0.15 M Li2SO4 |
