7FSZ
SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z3006151474
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 | 80.265, 49.403, 115.536 |
Unit cell angles | 90.00, 94.63, 90.00 |
Refinement procedure
Resolution | 68.342 - 2.050 |
R-factor | 0.2867 |
Rwork | 0.285 |
R-free | 0.33960 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 8blu |
RMSD bond length | 0.008 |
RMSD bond angle | 1.432 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0350) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 68.342 | 68.342 | 1.997 |
High resolution limit [Å] | 1.815 | 5.652 | 1.815 |
Rmeas | 0.075 | 0.038 | 0.880 |
Rpim | 0.040 | 0.021 | 0.465 |
Total number of observations | 195746 | 9273 | 9981 |
Number of reflections | 57191 | ||
<I/σ(I)> | 9 | 25.1 | 1.6 |
Completeness [%] | 92.8 | 99.1 | 64.8 |
Redundancy | 3.4 | 3.2 | 3.5 |
CC(1/2) | 0.999 | 0.999 | 0.709 |
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 |