7FT9
SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z45636695
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 | 80.845, 49.152, 115.021 |
| Unit cell angles | 90.00, 95.03, 90.00 |
Refinement procedure
| Resolution | 80.530 - 1.770 |
| R-factor | 0.2075 |
| Rwork | 0.205 |
| R-free | 0.24680 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 8blu |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.961 |
| 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] | 80.530 | 80.530 | 1.800 |
| High resolution limit [Å] | 1.770 | 9.530 | 1.770 |
| Rmerge | 0.089 | 0.043 | 2.592 |
| Rmeas | 0.097 | 0.047 | 2.877 |
| Rpim | 0.037 | 0.020 | 1.216 |
| Total number of observations | 597419 | 4145 | 22034 |
| Number of reflections | 87561 | ||
| <I/σ(I)> | 11.5 | 67.1 | 0.3 |
| Completeness [%] | 99.3 | 99.8 | 91.8 |
| Redundancy | 6.8 | 6.6 | 5.4 |
| CC(1/2) | 0.998 | 0.993 | 0.352 |
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 |
