5AO4
Crystal structure of in vitro phosphorylated human SAMHD1 (amino acid residues 115-626) bound to GTP
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 |
| Detector | DECTRIS PILATUS 6M-F |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 197.545, 80.817, 147.665 |
| Unit cell angles | 90.00, 114.93, 90.00 |
Refinement procedure
| Resolution | 49.046 - 3.700 |
| R-factor | 0.2471 |
| Rwork | 0.244 |
| R-free | 0.30820 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3u1n |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.050 |
| 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 | 3.920 |
| High resolution limit [Å] | 3.700 | 3.700 |
| Rmerge | 0.110 | 0.420 |
| Number of reflections | 23521 | |
| <I/σ(I)> | 9.76 | 3.23 |
| Completeness [%] | 95.7 | 92.8 |
| Redundancy | 2.85 | 2.75 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 0.2 M SODIUM FORMATE, 20% PEG 3350 |
