7FT2
SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z235449082
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 | 79.579, 49.922, 117.517 |
Unit cell angles | 90.00, 94.55, 90.00 |
Refinement procedure
Resolution | 117.150 - 2.040 |
R-factor | 0.2706 |
Rwork | 0.268 |
R-free | 0.32150 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 8blu |
RMSD bond length | 0.009 |
RMSD bond angle | 1.634 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.7) |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 117.150 | 117.150 | 2.090 |
High resolution limit [Å] | 2.040 | 9.110 | 2.040 |
Rmerge | 0.178 | 0.066 | 1.466 |
Rmeas | 0.211 | 0.079 | 1.726 |
Rpim | 0.112 | 0.044 | 0.905 |
Total number of observations | 205316 | 2244 | 15527 |
Number of reflections | 59263 | ||
<I/σ(I)> | 7.5 | 44 | 0.8 |
Completeness [%] | 99.9 | 99.9 | 98.6 |
Redundancy | 3.5 | 3.1 | 3.6 |
CC(1/2) | 0.990 | 0.986 | 0.380 |
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 |