4QG2
Crystal structure of the tetrameric GTP/dATP/ATP-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 | 2013-11-16 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 87.230, 147.005, 99.292 |
| Unit cell angles | 90.00, 114.60, 90.00 |
Refinement procedure
| Resolution | 43.066 - 2.250 |
| R-factor | 0.2374 |
| Rwork | 0.237 |
| R-free | 0.27140 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4bzb |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.082 |
| 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] | 43.070 | 2.310 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Rmerge | 0.073 | 0.519 |
| Number of reflections | 103879 | |
| <I/σ(I)> | 6.1 | 1.4 |
| Completeness [%] | 96.6 | 99 |
| Redundancy | 2.61 | 2.59 |
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 |
