7FTD
SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z27782662
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-08-08 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9762 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 80.120, 49.370, 115.540 |
| Unit cell angles | 90.00, 94.61, 90.00 |
Refinement procedure
| Resolution | 57.580 - 1.800 |
| R-factor | 0.2922 |
| Rwork | 0.289 |
| R-free | 0.35890 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 8blu |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.454 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.8) |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0403) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 57.580 | 57.580 | 1.850 |
| High resolution limit [Å] | 1.800 | 8.050 | 1.800 |
| Rmerge | 0.061 | 0.036 | 2.922 |
| Rmeas | 0.066 | 0.039 | 3.205 |
| Rpim | 0.025 | 0.015 | 1.291 |
| Total number of observations | 576237 | 6589 | 37283 |
| Number of reflections | 84032 | ||
| <I/σ(I)> | 11.7 | 40.1 | 0.6 |
| Completeness [%] | 100.0 | 99.1 | 99.9 |
| Redundancy | 6.9 | 6.5 | 6 |
| CC(1/2) | 0.999 | 0.999 | 0.348 |
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 |
