5AO2
Crystal structure of human SAMHD1 (amino acid residues 115-583) R164A variant bound to dGTP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector | DECTRIS |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 69.706, 199.320, 81.804 |
| Unit cell angles | 90.00, 100.79, 90.00 |
Refinement procedure
| Resolution | 29.564 - 2.966 |
| R-factor | 0.1601 |
| Rwork | 0.156 |
| R-free | 0.23440 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3u1n |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.501 |
| 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] | 30.000 | 3.140 |
| High resolution limit [Å] | 2.970 | 2.970 |
| Rmerge | 0.120 | 0.740 |
| Number of reflections | 43467 | |
| <I/σ(I)> | 13.06 | 1.96 |
| Completeness [%] | 95.9 | 81.3 |
| Redundancy | 3.45 | 3.13 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 0.2 M SODIUM CITRATE, 0.1 M BIS TRIS PROPANE-HCL, 20% PEG 3350, PH 8.5 |
