7FSO
SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z198195770
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 | 80.196, 49.629, 115.390 |
| Unit cell angles | 90.00, 95.12, 90.00 |
Refinement procedure
| Resolution | 79.880 - 1.900 |
| R-factor | 0.256 |
| Rwork | 0.255 |
| R-free | 0.29180 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 8blu |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.446 |
| 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] | 79.880 | 79.880 | 1.910 |
| High resolution limit [Å] | 1.820 | 5.740 | 1.820 |
| Rmerge | 0.069 | 0.034 | 1.633 |
| Rmeas | 0.081 | 0.041 | 1.942 |
| Rpim | 0.043 | 0.022 | 1.040 |
| Total number of observations | 283264 | 8980 | 39819 |
| Number of reflections | 81415 | ||
| <I/σ(I)> | 5 | 14.5 | 0.6 |
| Completeness [%] | 99.3 | 99.1 | 98.9 |
| Redundancy | 3.5 | 3.3 | 3.4 |
| CC(1/2) | 0.998 | 0.998 | 0.444 |
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 |
