4QFZ
Crystal structure of the tetrameric dGTP/dTTP-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 | 87.831, 146.738, 98.941 |
| Unit cell angles | 90.00, 114.29, 90.00 |
Refinement procedure
| Resolution | 33.981 - 2.300 |
| R-factor | 0.21 |
| Rwork | 0.209 |
| R-free | 0.25010 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4bzb |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.953 |
| 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] | 33.981 | 2.360 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.090 | 0.539 |
| Number of reflections | 100951 | |
| <I/σ(I)> | 8 | 1.7 |
| Completeness [%] | 99.9 | 99.8 |
| Redundancy | 5.09 | 5.01 |
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 |
