7FSU
SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z729726784
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 | 2022-04-14 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9179 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 80.951, 49.447, 114.739 |
Unit cell angles | 90.00, 94.96, 90.00 |
Refinement procedure
Resolution | 114.300 - 1.970 |
R-factor | 0.2026 |
Rwork | 0.200 |
R-free | 0.24780 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 8blu |
RMSD bond length | 0.011 |
RMSD bond angle | 1.835 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.7) |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 114.300 | 114.300 | 2.020 |
High resolution limit [Å] | 1.970 | 8.820 | 1.970 |
Rmerge | 0.122 | 0.071 | 1.566 |
Rmeas | 0.145 | 0.084 | 1.844 |
Rpim | 0.077 | 0.044 | 0.966 |
Total number of observations | 223464 | 2454 | 16747 |
Number of reflections | 64274 | ||
<I/σ(I)> | 10.4 | 56.9 | 0.8 |
Completeness [%] | 99.9 | 99.9 | 98.5 |
Redundancy | 3.5 | 3.1 | 3.6 |
CC(1/2) | 0.976 | 0.932 | 0.283 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 100 mM Morpheus amino acids, 100 mM Morpheus buffer system 1, 43% Morpheus precipitant mix 3 |