7FT4
SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z48847594
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 | 80.156, 49.086, 115.073 |
| Unit cell angles | 90.00, 95.03, 90.00 |
Refinement procedure
| Resolution | 45.160 - 2.170 |
| R-factor | 0.2534 |
| Rwork | 0.249 |
| R-free | 0.34670 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 8blu |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.521 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.7) |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0403) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 45.120 | 45.120 | 2.280 |
| High resolution limit [Å] | 2.170 | 6.850 | 2.170 |
| Rmerge | 0.094 | 0.028 | 1.214 |
| Rmeas | 0.118 | 0.036 | 1.520 |
| Rpim | 0.069 | 0.021 | 0.903 |
| Total number of observations | 100885 | 3585 | 12196 |
| Number of reflections | 39276 | ||
| <I/σ(I)> | 6.1 | 19.8 | 0.7 |
| Completeness [%] | 82.5 | 87.3 | 70 |
| Redundancy | 2.6 | 2.6 | 2.5 |
| CC(1/2) | 0.997 | 0.999 | 0.362 |
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 |
