6TXA
Crystal structure of tetrameric human D137N-SAMHD1 (residues 109-626) with XTP, dGMPNPP and Mg
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-02-09 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.96861 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 97.782, 172.897, 275.886 |
| Unit cell angles | 90.00, 95.20, 90.00 |
Refinement procedure
| Resolution | 146.243 - 2.853 |
| R-factor | 0.1953 |
| Rwork | 0.194 |
| R-free | 0.21180 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6tx0 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.535 |
| 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] | 146.334 | 146.334 | 3.201 |
| High resolution limit [Å] | 2.850 | 8.918 | 2.853 |
| Rmerge | 0.186 | 0.049 | 0.577 |
| Rmeas | 0.220 | 0.058 | 0.684 |
| Rpim | 0.117 | 0.031 | 0.364 |
| Number of reflections | 140978 | 7047 | 7049 |
| <I/σ(I)> | 4 | 10.4 | 1.5 |
| Completeness [%] | 94.3 | 99.3 | 67.3 |
| Redundancy | 3.5 | 3.3 | 3.4 |
| CC(1/2) | 0.980 | 0.996 | 0.729 |
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. |
