7FSR
SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z54615640
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 | 80.965, 49.493, 114.060 |
| Unit cell angles | 90.00, 95.37, 90.00 |
Refinement procedure
| Resolution | 113.560 - 2.290 |
| R-factor | 0.2102 |
| Rwork | 0.207 |
| R-free | 0.27650 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 8blu |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.616 |
| 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] | 113.560 | 113.560 | 2.370 |
| High resolution limit [Å] | 2.290 | 8.850 | 2.290 |
| Rmerge | 0.134 | 0.043 | 1.371 |
| Rmeas | 0.159 | 0.056 | 1.628 |
| Rpim | 0.085 | 0.034 | 0.869 |
| Total number of observations | 141383 | 2394 | 13597 |
| Number of reflections | 40973 | ||
| <I/σ(I)> | 11.9 | 61.5 | 1.2 |
| Completeness [%] | 99.5 | 99.9 | 97.7 |
| Redundancy | 3.5 | 3.1 | 3.5 |
| CC(1/2) | 0.960 | 0.889 | 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 |
