6TXC
Crystal structure of tetrameric human wt-SAMHD1 (residues 109-626) with GTP, dATP, dCMPNPP and Mg
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-02-15 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97625 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 99.113, 175.239, 277.269 |
| Unit cell angles | 90.00, 94.81, 90.00 |
Refinement procedure
| Resolution | 276.291 - 2.840 |
| R-factor | 0.229 |
| Rwork | 0.228 |
| R-free | 0.24890 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6txa |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.702 |
| 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] | 276.291 | 276.291 | 3.100 |
| High resolution limit [Å] | 2.840 | 8.612 | 2.840 |
| Rmerge | 0.169 | 0.035 | 0.885 |
| Rmeas | 0.195 | 0.041 | 1.016 |
| Rpim | 0.097 | 0.021 | 0.494 |
| Number of reflections | 161935 | 8097 | 8099 |
| <I/σ(I)> | 7.1 | 23.9 | 1.5 |
| Completeness [%] | 93.7 | 99.1 | 53.8 |
| Redundancy | 3.9 | 3.7 | 4.1 |
| CC(1/2) | 0.991 | 0.998 | 0.595 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293 | 0.1 M Bistris methane-HCL pH 6, 17% (w/v) PEG 3350, 0.15 M Li2SO4. |
