7FT8
SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with NCL-00024671
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 | 81.383, 49.625, 115.378 |
| Unit cell angles | 90.00, 95.42, 90.00 |
Refinement procedure
| Resolution | 57.500 - 2.400 |
| R-factor | 0.2237 |
| Rwork | 0.220 |
| R-free | 0.29140 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 8blu |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.327 |
| 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] | 57.500 | 57.500 | 2.260 |
| High resolution limit [Å] | 2.190 | 8.750 | 2.190 |
| Rmerge | 0.165 | 0.049 | 2.610 |
| Rmeas | 0.179 | 0.053 | 2.834 |
| Rpim | 0.068 | 0.021 | 1.093 |
| Total number of observations | 330049 | 5550 | 27765 |
| Number of reflections | 48094 | ||
| <I/σ(I)> | 5.9 | 36.6 | 0.3 |
| Completeness [%] | 99.5 | 99.7 | 94.4 |
| Redundancy | 6.9 | 6.7 | 6.6 |
| CC(1/2) | 0.987 | 0.970 | 0.344 |
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 |
