5AO1
Crystal structure of human SAMHD1 (amino acid residues 115-583) bound to ddGTP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Detector | DECTRIS PILATUS |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 70.121, 187.356, 81.373 |
| Unit cell angles | 90.00, 100.54, 90.00 |
Refinement procedure
| Resolution | 49.228 - 2.545 |
| R-factor | 0.1734 |
| Rwork | 0.171 |
| R-free | 0.22010 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3u1n |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.532 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((PHENIX.REFINE: 1.9_1692)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.700 |
| High resolution limit [Å] | 2.540 | 2.540 |
| Rmerge | 0.080 | 0.800 |
| Number of reflections | 65199 | |
| <I/σ(I)> | 17.96 | 1.61 |
| Completeness [%] | 96.6 | 80 |
| Redundancy | 6.26 | 4.12 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 100 MM BIS TRIS PROPANE-HCL, 150 MM NA2SO4, 13.5% PEG 3350 PH 6.5 |
