3U1N
Structure of the catalytic core of human SAMHD1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Spacegroup name | P 1 |
| Unit cell lengths | 81.516, 95.818, 96.661 |
| Unit cell angles | 91.18, 109.24, 115.20 |
Refinement procedure
| Resolution | 34.556 - 3.100 |
| R-factor | 0.1973 |
| Rwork | 0.196 |
| R-free | 0.22750 |
| Structure solution method | SAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.203 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHELX |
| Refinement software | PHENIX (1.7_650) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 35.000 | 35.000 | 3.190 |
| High resolution limit [Å] | 3.100 | 7.080 | 3.100 |
| Rmerge | 0.116 | 0.064 | 0.581 |
| Number of reflections | 89495 | ||
| <I/σ(I)> | 8.6 | ||
| Completeness [%] | 98.7 | 98.4 | 96.8 |
| Redundancy | 3.7 | 3.8 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | VAPOR DIFFUSION, HANGING DROP |
