7FSY
SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z1148165337
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 | 80.010, 49.650, 116.140 |
| Unit cell angles | 90.00, 95.08, 90.00 |
Refinement procedure
| Resolution | 79.700 - 2.800 |
| R-factor | 0.2092 |
| Rwork | 0.204 |
| R-free | 0.30450 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 8blu |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.408 |
| 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] | 79.700 | 79.700 | 2.870 |
| High resolution limit [Å] | 2.800 | 12.520 | 2.800 |
| Rmerge | 0.188 | 0.037 | 1.582 |
| Rmeas | 0.225 | 0.045 | 1.885 |
| Rpim | 0.122 | 0.025 | 1.015 |
| Total number of observations | 73824 | 786 | 5592 |
| Number of reflections | 22649 | ||
| <I/σ(I)> | 6.2 | 20.6 | 0.9 |
| Completeness [%] | 99.0 | 97.5 | 99.7 |
| Redundancy | 3.3 | 2.8 | 3.3 |
| CC(1/2) | 0.990 | 0.998 | 0.276 |
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 |
