8GB2
Crystal structure of Apo-SAMHD1
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 | 2022-11-16 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.9201 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 202.574, 81.884, 154.026 |
| Unit cell angles | 90.00, 118.52, 90.00 |
Refinement procedure
| Resolution | 27.610 - 3.070 |
| R-factor | 0.2 |
| Rwork | 0.197 |
| R-free | 0.25030 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.348 |
| Data reduction software | DIMPLE |
| Data scaling software | DIMPLE |
| Phasing software | MOLREP (11.9.02) |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.610 | 3.180 |
| High resolution limit [Å] | 3.070 | 3.070 |
| Rmerge | 0.130 | 2.160 |
| Rpim | 0.082 | 1.320 |
| Number of reflections | 41553 | 4038 |
| <I/σ(I)> | 99.8 | 99.9 |
| Completeness [%] | 99.4 | 97.8 |
| Redundancy | 3.6 | 3.3 |
| CC(1/2) | 1.000 | 0.700 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.3 | 293 | 17% PEG3350, 0.15 M Ammonium citrate pH 7.3, 293 K, 5 mg/mL, 1 uL protein + 2 uL ML. |
