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 |