7FSK
SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z1954800564
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 | 2022-04-13 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9179 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 80.455, 49.695, 115.832 |
| Unit cell angles | 90.00, 94.89, 90.00 |
Refinement procedure
| Resolution | 68.730 - 2.400 |
| R-factor | 0.2336 |
| Rwork | 0.231 |
| R-free | 0.29380 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 8blu |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.398 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.7) |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0350) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 115.260 | 115.260 | 2.360 |
| High resolution limit [Å] | 2.280 | 9.120 | 2.280 |
| Rmerge | 0.123 | 0.044 | 1.511 |
| Rmeas | 0.146 | 0.053 | 1.797 |
| Rpim | 0.078 | 0.030 | 0.964 |
| Total number of observations | 143030 | 2192 | 12727 |
| Number of reflections | 42002 | ||
| <I/σ(I)> | 10.2 | 43.8 | 0.8 |
| Completeness [%] | 99.7 | 99.8 | 97.1 |
| Redundancy | 3.4 | 3 | 3.4 |
| CC(1/2) | 0.961 | 0.986 | 0.342 |
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 |
