3SHW
Crystal structure of ZO-1 PDZ3-SH3-Guk supramodule complex with Connexin-45 peptide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.979 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 49.005, 86.955, 141.401 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 74.120 - 2.900 |
R-factor | 0.21083 |
Rwork | 0.209 |
R-free | 0.25299 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.006 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASES |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 74.120 | |
High resolution limit [Å] | 2.900 | 2.900 |
Rmerge | 0.072 | |
Number of reflections | 13414 | |
<I/σ(I)> | 16.5 | |
Completeness [%] | 95.6 | 95.6 |
Redundancy | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 289 | 16% (w/v) PEG 8000, 0.1M Sodium Citrate, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K |