7FTB
SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z1198269757
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 | 80.113, 49.595, 116.129 |
| Unit cell angles | 90.00, 94.51, 90.00 |
Refinement procedure
| Resolution | 63.410 - 2.220 |
| R-factor | 0.249 |
| Rwork | 0.245 |
| R-free | 0.32840 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 8blu |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.287 |
| 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] | 63.410 | 63.410 | 2.290 |
| High resolution limit [Å] | 2.220 | 8.880 | 2.220 |
| Rmerge | 0.141 | 0.042 | 2.674 |
| Rmeas | 0.153 | 0.046 | 2.914 |
| Rpim | 0.058 | 0.019 | 1.144 |
| Total number of observations | 313103 | 5210 | 26486 |
| Number of reflections | 45432 | ||
| <I/σ(I)> | 9.3 | 58.9 | 0.5 |
| Completeness [%] | 99.9 | 99.7 | 98.8 |
| Redundancy | 6.9 | 6.7 | 6.4 |
| CC(1/2) | 0.992 | 0.984 | 0.296 |
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 |
