4RXQ
The structure of GTP-dUTP-bound SAMHD1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-05-07 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.98 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 150.800, 108.915, 92.217 |
Unit cell angles | 90.00, 122.73, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.100 |
R-factor | 0.19848 |
Rwork | 0.197 |
R-free | 0.22864 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4mz7 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.318 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASES |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.140 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.073 | 0.713 |
Number of reflections | 73035 | |
<I/σ(I)> | 46.1 | |
Completeness [%] | 99.9 | 100 |
Redundancy | 7.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 295 | 0.1 M lithium sulfate monohydrate, 0.1M sodium citrate tribasic dihydrate, and 20% w/v polyethylene glycol 1000, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K |