7FSJ
SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z57744712
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 | 81.162, 49.539, 114.910 |
| Unit cell angles | 90.00, 94.89, 90.00 |
Refinement procedure
| Resolution | 114.490 - 1.970 |
| R-factor | 0.2121 |
| Rwork | 0.210 |
| R-free | 0.25950 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 8blu |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.671 |
| 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] | 114.540 | 114.540 | 2.020 |
| High resolution limit [Å] | 1.970 | 8.830 | 1.970 |
| Rmerge | 0.156 | 0.054 | 1.715 |
| Rmeas | 0.184 | 0.065 | 2.021 |
| Rpim | 0.098 | 0.036 | 1.060 |
| Total number of observations | 223322 | 2459 | 16121 |
| Number of reflections | 64393 | ||
| <I/σ(I)> | 9 | 45.8 | 0.9 |
| Completeness [%] | 99.6 | 99.9 | 95.6 |
| Redundancy | 3.5 | 3.1 | 3.6 |
| CC(1/2) | 0.991 | 0.990 | 0.317 |
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 |
