4QG1
Crystal structure of the tetrameric GTP/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 | 2013-11-16 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 87.695, 146.724, 99.256 |
| Unit cell angles | 90.00, 114.76, 90.00 |
Refinement procedure
| Resolution | 42.987 - 2.200 |
| R-factor | 0.2152 |
| Rwork | 0.214 |
| R-free | 0.26430 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4bzb |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.146 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.990 | 2.260 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.074 | 0.505 |
| Number of reflections | 114395 | |
| <I/σ(I)> | 6.8 | 1.6 |
| Completeness [%] | 99.3 | 99.62 |
| Redundancy | 3.2 | 3.18 |
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 |
