6YOM
Crystal structure of tetrameric human D137N-SAMHD1 (residues 109-626) with XTP, dATP, dCMPNPP, Mn and Mg
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-07-22 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.9075 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 105.298, 105.298, 195.629 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 92.720 - 3.250 |
| R-factor | 0.1789 |
| Rwork | 0.176 |
| R-free | 0.23590 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6tx0 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.846 |
| Data reduction software | DIALS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER (2.7.17) |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 195.630 | 195.980 | 3.310 |
| High resolution limit [Å] | 3.250 | 8.820 | 3.250 |
| Rmerge | 0.204 | 0.052 | 1.336 |
| Rmeas | 0.211 | 0.055 | 1.381 |
| Rpim | 0.053 | 0.015 | 0.349 |
| Number of reflections | 18094 | 1043 | 885 |
| <I/σ(I)> | 10.5 | 29.9 | 2.1 |
| Completeness [%] | 100.0 | 100 | 99.44 |
| Redundancy | 15.4 | 13.52 | 15.4 |
| CC(1/2) | 0.997 | 0.999 | 0.752 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293 | 0.1 M Bistris methane-HCl pH 6, 15% (w/v) PEG 3350, 0.05 M MgCl2 |
