5OVV
PDZ domain from rat Shank3 bound to the C terminus of ProSAPiP1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P13 (MX1) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-10-01 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.0332 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 56.570, 85.910, 46.060 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.955 - 1.400 |
R-factor | 0.1573 |
Rwork | 0.155 |
R-free | 0.19680 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.096 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.440 |
High resolution limit [Å] | 1.400 | 1.400 |
Rmeas | 0.218 | 2.177 |
Number of reflections | 22464 | 1644 |
<I/σ(I)> | 8.2 | |
Completeness [%] | 99.8 | 99.2 |
Redundancy | 12.6 | 11.5 |
CC(1/2) | 0.996 | 0.333 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | Sodium thiocyanate 200 mM, 23% PEG3350 |