7FST
SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z26968795
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 | 80.277, 49.437, 116.172 |
Unit cell angles | 90.00, 94.80, 90.00 |
Refinement procedure
Resolution | 115.770 - 1.980 |
R-factor | 0.272 |
Rwork | 0.268 |
R-free | 0.34250 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 8blu |
RMSD bond length | 0.007 |
RMSD bond angle | 1.471 |
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] | 115.780 | 115.780 | 2.030 |
High resolution limit [Å] | 1.980 | 8.850 | 1.980 |
Rmerge | 0.127 | 0.095 | 1.640 |
Rmeas | 0.151 | 0.111 | 1.935 |
Rpim | 0.080 | 0.058 | 1.017 |
Total number of observations | 220294 | 2429 | 15774 |
Number of reflections | 63659 | ||
<I/σ(I)> | 10.6 | 50.3 | 0.9 |
Completeness [%] | 99.6 | 99.9 | 95.1 |
Redundancy | 3.5 | 3.1 | 3.6 |
CC(1/2) | 0.941 | 0.844 | 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 |