5AO2
Crystal structure of human SAMHD1 (amino acid residues 115-583) R164A variant bound to dGTP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector | DECTRIS |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 69.706, 199.320, 81.804 |
Unit cell angles | 90.00, 100.79, 90.00 |
Refinement procedure
Resolution | 29.564 - 2.966 |
R-factor | 0.1601 |
Rwork | 0.156 |
R-free | 0.23440 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3u1n |
RMSD bond length | 0.011 |
RMSD bond angle | 1.501 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | MOLREP |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 3.140 |
High resolution limit [Å] | 2.970 | 2.970 |
Rmerge | 0.120 | 0.740 |
Number of reflections | 43467 | |
<I/σ(I)> | 13.06 | 1.96 |
Completeness [%] | 95.9 | 81.3 |
Redundancy | 3.45 | 3.13 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 0.2 M SODIUM CITRATE, 0.1 M BIS TRIS PROPANE-HCL, 20% PEG 3350, PH 8.5 |