7FSW
SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z169675004
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 | 80.415, 49.681, 116.275 |
Unit cell angles | 90.00, 94.93, 90.00 |
Refinement procedure
Resolution | 115.850 - 2.140 |
R-factor | 0.2505 |
Rwork | 0.247 |
R-free | 0.32470 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 8blu |
RMSD bond length | 0.006 |
RMSD bond angle | 1.373 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.7) |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0403) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 115.930 | 115.930 | 2.200 |
High resolution limit [Å] | 2.140 | 8.810 | 2.140 |
Rmerge | 0.126 | 0.076 | 1.348 |
Rmeas | 0.149 | 0.089 | 1.596 |
Rpim | 0.079 | 0.047 | 0.847 |
Total number of observations | 176701 | 2503 | 15260 |
Number of reflections | 51348 | ||
<I/σ(I)> | 10.1 | 55.8 | 0.8 |
Completeness [%] | 99.7 | 99.9 | 97.1 |
Redundancy | 3.4 | 3.1 | 3.5 |
CC(1/2) | 0.969 | 0.921 | 0.266 |
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 |