7FSM
SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z763030030
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 | 80.311, 49.606, 115.628 |
Unit cell angles | 90.00, 94.87, 90.00 |
Refinement procedure
Resolution | 115.150 - 2.100 |
R-factor | 0.2579 |
Rwork | 0.254 |
R-free | 0.33040 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 8blu |
RMSD bond length | 0.007 |
RMSD bond angle | 1.465 |
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] | 115.150 | 115.150 | 2.000 |
High resolution limit [Å] | 1.950 | 9.140 | 1.950 |
Rmerge | 0.138 | 0.121 | 1.523 |
Rmeas | 0.163 | 0.142 | 1.793 |
Rpim | 0.086 | 0.074 | 0.939 |
Total number of observations | 231773 | 2194 | 14945 |
Number of reflections | 66452 | ||
<I/σ(I)> | 9 | 46.9 | 0.8 |
Completeness [%] | 99.5 | 99.9 | 93.2 |
Redundancy | 3.5 | 3.1 | 3.6 |
CC(1/2) | 0.945 | 0.828 | 0.310 |
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 |