7FT7
SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z57127349
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-08-08 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9762 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 80.613, 49.422, 114.279 |
Unit cell angles | 90.00, 95.16, 90.00 |
Refinement procedure
Resolution | 56.870 - 1.780 |
R-factor | 0.1969 |
Rwork | 0.195 |
R-free | 0.23640 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 8blu |
RMSD bond length | 0.011 |
RMSD bond angle | 1.787 |
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] | 56.870 | 56.870 | 1.810 |
High resolution limit [Å] | 1.780 | 9.410 | 1.780 |
Rmerge | 0.087 | 0.052 | 2.681 |
Rmeas | 0.094 | 0.058 | 2.966 |
Rpim | 0.036 | 0.024 | 1.243 |
Total number of observations | 588827 | 4245 | 24136 |
Number of reflections | 86405 | ||
<I/σ(I)> | 11 | 58.3 | 0.3 |
Completeness [%] | 99.8 | 99.6 | 97.1 |
Redundancy | 6.8 | 6.6 | 5.5 |
CC(1/2) | 0.987 | 0.948 | 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 |