6DWJ
SAMHD1 Bound to Vidarabine-TP in the Catalytic Pocket
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS-II BEAMLINE 17-ID-1 |
| Synchrotron site | NSLS-II |
| Beamline | 17-ID-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-01-24 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.92014 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 86.862, 146.724, 99.594 |
| Unit cell angles | 90.00, 114.45, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.500 |
| R-factor | 0.17701 |
| Rwork | 0.175 |
| R-free | 0.20792 |
| RMSD bond length | 0.019 |
| RMSD bond angle | 2.034 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.540 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.107 | 0.737 |
| Number of reflections | 75598 | 3796 |
| <I/σ(I)> | 10 | |
| Completeness [%] | 97.4 | 97.1 |
| Redundancy | 3.5 | 3.3 |
| CC(1/2) | 0.989 | 0.688 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 298 | 100 MM BIS-TRIS PH 6.7 AND 25% (W/V) PEG1500 |
