7FT0
SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z56767614
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 | 80.894, 49.566, 115.233 |
Unit cell angles | 90.00, 94.95, 90.00 |
Refinement procedure
Resolution | 80.760 - 2.450 |
R-factor | 0.2113 |
Rwork | 0.208 |
R-free | 0.27440 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 8blu |
RMSD bond length | 0.007 |
RMSD bond angle | 1.370 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.7) |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0350) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 114.820 | 114.820 | 2.320 |
High resolution limit [Å] | 2.240 | 8.970 | 2.240 |
Rmerge | 0.199 | 0.087 | 1.425 |
Rmeas | 0.237 | 0.104 | 1.692 |
Rpim | 0.127 | 0.055 | 0.903 |
Total number of observations | 151130 | 2316 | 13844 |
Number of reflections | 44201 | ||
<I/σ(I)> | 6.2 | 35.8 | 0.8 |
Completeness [%] | 99.8 | 99.9 | 98.8 |
Redundancy | 3.4 | 3.1 | 3.5 |
CC(1/2) | 0.955 | 0.919 | 0.267 |
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 |