7FSS
SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z839706072
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 | 80.131, 49.382, 116.283 |
Unit cell angles | 90.00, 94.84, 90.00 |
Refinement procedure
Resolution | 115.870 - 2.110 |
R-factor | 0.2608 |
Rwork | 0.257 |
R-free | 0.34260 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 8blu |
RMSD bond length | 0.006 |
RMSD bond angle | 1.397 |
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] | 115.870 | 115.870 | 2.170 |
High resolution limit [Å] | 2.110 | 8.950 | 2.110 |
Rmerge | 0.131 | 0.060 | 1.317 |
Rmeas | 0.156 | 0.071 | 1.556 |
Rpim | 0.083 | 0.037 | 0.822 |
Total number of observations | 181237 | 2321 | 14913 |
Number of reflections | 52678 | ||
<I/σ(I)> | 10 | 52.2 | 0.9 |
Completeness [%] | 99.9 | 99.9 | 98.9 |
Redundancy | 3.4 | 3 | 3.5 |
CC(1/2) | 0.979 | 0.940 | 0.426 |
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 |