4QFX
Crystal structure of the tetrameric dGTP/dATP-bound SAMHD1 (RN206) mutant catalytic core
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-08-02 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 88.561, 147.264, 98.795 |
| Unit cell angles | 90.00, 114.63, 90.00 |
Refinement procedure
| Resolution | 38.337 - 2.200 |
| R-factor | 0.2287 |
| Rwork | 0.228 |
| R-free | 0.27040 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4bzb |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.979 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.8.1_1168)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.340 | 2.260 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.134 | 0.500 |
| Number of reflections | 116244 | |
| <I/σ(I)> | 5.7 | 2.1 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 6.38 | 6.38 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 0.1 M SPG, pH 6.5, 25% PEG1500, 20% ethylene glycol, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
