7FSX
SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z1328078283
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 | 80.629, 49.536, 115.265 |
| Unit cell angles | 90.00, 95.43, 90.00 |
Refinement procedure
| Resolution | 114.750 - 1.910 |
| R-factor | 0.1976 |
| Rwork | 0.196 |
| R-free | 0.23500 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 8blu |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.868 |
| 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] | 114.740 | 114.740 | 1.950 |
| High resolution limit [Å] | 1.910 | 9.160 | 1.910 |
| Rmerge | 0.110 | 0.087 | 1.192 |
| Rmeas | 0.130 | 0.102 | 1.407 |
| Rpim | 0.069 | 0.054 | 0.743 |
| Total number of observations | 246477 | 2184 | 15627 |
| Number of reflections | 70825 | ||
| <I/σ(I)> | 12.6 | 63.8 | 1 |
| Completeness [%] | 99.8 | 99.9 | 97.3 |
| Redundancy | 3.5 | 3 | 3.6 |
| CC(1/2) | 0.973 | 0.896 | 0.256 |
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 |
