7FTA
SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z228589380
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 | 80.181, 49.712, 115.736 |
| Unit cell angles | 90.00, 94.36, 90.00 |
Refinement procedure
| Resolution | 57.670 - 2.030 |
| R-factor | 0.2481 |
| Rwork | 0.244 |
| R-free | 0.32950 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 8blu |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.682 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.7) |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0403) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 57.670 | 57.670 | 2.080 |
| High resolution limit [Å] | 2.030 | 9.070 | 2.030 |
| Rmerge | 0.090 | 0.049 | 2.807 |
| Rmeas | 0.098 | 0.054 | 3.034 |
| Rpim | 0.037 | 0.022 | 1.144 |
| Total number of observations | 408943 | 4867 | 29534 |
| Number of reflections | 59474 | ||
| <I/σ(I)> | 10.5 | 61.5 | 0.3 |
| Completeness [%] | 99.8 | 99.6 | 96.7 |
| Redundancy | 6.9 | 6.6 | 7 |
| CC(1/2) | 0.991 | 0.977 | 0.351 |
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 |
