7FSP
SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z1650168321
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 | 80.444, 49.502, 114.424 |
| Unit cell angles | 90.00, 95.40, 90.00 |
Refinement procedure
| Resolution | 80.090 - 1.860 |
| R-factor | 0.1985 |
| Rwork | 0.196 |
| R-free | 0.23930 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 8blu |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.798 |
| 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] | 80.090 | 80.090 | 1.900 |
| High resolution limit [Å] | 1.860 | 9.300 | 1.860 |
| Rmerge | 0.106 | 0.077 | 1.651 |
| Rmeas | 0.125 | 0.090 | 1.985 |
| Rpim | 0.066 | 0.047 | 1.092 |
| Total number of observations | 263258 | 2060 | 14341 |
| Number of reflections | 75903 | ||
| <I/σ(I)> | 13.4 | 81.4 | 0.8 |
| Completeness [%] | 99.9 | 99.8 | 99.5 |
| Redundancy | 3.5 | 3 | 3.2 |
| CC(1/2) | 0.982 | 0.926 | 0.316 |
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 |
