7A00
Crystal structure of Shank1 PDZ in complex with L6F mutant of the C-terminal hexapeptide from GKAP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-02-17 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 0.987 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 44.180, 66.470, 88.580 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.290 - 1.780 |
R-factor | 0.2153 |
Rwork | 0.213 |
R-free | 0.24870 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1q3o |
RMSD bond length | 0.006 |
RMSD bond angle | 0.720 |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.15.2_3472) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 53.170 | 1.810 |
High resolution limit [Å] | 1.780 | 1.780 |
Rmerge | 0.074 | 1.993 |
Rmeas | 0.077 | |
Rpim | 0.021 | 0.559 |
Number of reflections | 25591 | 1253 |
<I/σ(I)> | 16.6 | |
Completeness [%] | 99.6 | 99.7 |
Redundancy | 13.2 | 13.6 |
CC(1/2) | 0.999 | 0.595 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 0.1 M HEPES 7 PEG 400 40% |