7S2Y
SAMHD1 HD domain bound to CNDAC
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-E |
| Synchrotron site | APS |
| Beamline | 24-ID-E |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2018-11-17 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | .97918 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 85.840, 146.167, 99.587 |
| Unit cell angles | 90.00, 114.27, 90.00 |
Refinement procedure
| Resolution | 50.030 - 2.800 |
| R-factor | 0.1882 |
| Rwork | 0.186 |
| R-free | 0.23230 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4bzb |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.873 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 90.784 | 2.900 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.095 | 0.659 |
| Number of reflections | 51457 | 3706 |
| <I/σ(I)> | 11.6 | 1 |
| Completeness [%] | 93.4 | 67.9 |
| Redundancy | 3.3 | 2.2 |
| CC(1/2) | 0.990 | 0.530 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 298 | 100 mM succinate phosphate glycine buffer pH 7.4, 25% PEG 1500 |
