6TX0
Crystal structure of tetrameric human D137N-SAMHD1 (residues 109-626) with XTP, dAMPNPP and Mg
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 technology | PIXEL |
| Collection date | 2017-01-16 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.92819 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 105.924, 105.924, 198.073 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 72.310 - 2.010 |
| R-factor | 0.1859 |
| Rwork | 0.184 |
| R-free | 0.22810 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4bzc |
| RMSD bond length | 0.020 |
| RMSD bond angle | 2.024 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER (2.7.17) |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 72.342 | 72.342 | 2.256 |
| High resolution limit [Å] | 2.006 | 6.708 | 2.006 |
| Rmerge | 0.113 | 0.026 | 1.190 |
| Rmeas | 0.120 | 0.028 | 1.264 |
| Rpim | 0.039 | 0.009 | 0.421 |
| Number of reflections | 45483 | 2274 | 2274 |
| <I/σ(I)> | 14.3 | 46.7 | 2 |
| Completeness [%] | 95.6 | 100 | 78.8 |
| Redundancy | 9.3 | 8.3 | 8.9 |
| CC(1/2) | 0.999 | 1.000 | 0.674 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293 | 0.1 M Bistris methane-HCl pH 6, 16% (w/v) PEG 3350 |
