5AO0
Crystal structure of human SAMHD1 (amino acid residues 41-583) 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 6M |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 163.173, 163.173, 260.716 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 49.423 - 3.731 |
| R-factor | 0.2212 |
| Rwork | 0.219 |
| R-free | 0.26770 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3u1n |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.056 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.960 |
| High resolution limit [Å] | 3.730 | 3.730 |
| Rmerge | 0.170 | 0.590 |
| Number of reflections | 14005 | |
| <I/σ(I)> | 12.23 | 4.37 |
| Completeness [%] | 98.7 | 92.5 |
| Redundancy | 9.67 | 8.26 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 160 MM SUCCINIC ACID, 11% PEG 3350, PH 7 |
