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 |