4QG4
Crystal structure of the tetrameric GTP/dATP/ATP-bound SAMHD1 (H210A) 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 | 87.799, 147.120, 99.211 |
Unit cell angles | 90.00, 114.00, 90.00 |
Refinement procedure
Resolution | 41.743 - 2.100 |
R-factor | 0.2228 |
Rwork | 0.223 |
R-free | 0.24470 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4bzb |
RMSD bond length | 0.007 |
RMSD bond angle | 1.177 |
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] | 41.743 | 2.150 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.096 | 0.537 |
Number of reflections | 133587 | |
<I/σ(I)> | 5.9 | 1.6 |
Completeness [%] | 99.9 | 100 |
Redundancy | 4.79 | 4.79 |
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 |