7XTY
Crystal Structure of the second PDZ domain from human PTPN13 in complex with APC peptide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-07-18 |
Detector | SIEMENS-NICOLET |
Wavelength(s) | 0.97853 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 97.462, 32.407, 69.917 |
Unit cell angles | 90.00, 108.86, 90.00 |
Refinement procedure
Resolution | 33.140 - 2.100 |
R-factor | 0.1983 |
Rwork | 0.194 |
R-free | 0.24020 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3lny |
Data reduction software | HKL-3000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.140 |
High resolution limit [Å] | 2.100 | 5.700 | 2.100 |
Rmerge | 0.173 | 0.126 | 0.374 |
Rmeas | 0.189 | 0.139 | 0.419 |
Rpim | 0.074 | 0.056 | 0.186 |
Total number of observations | 72771 | ||
Number of reflections | 12152 | 670 | 562 |
<I/σ(I)> | 3.1 | ||
Completeness [%] | 98.0 | 100 | 87.4 |
Redundancy | 6 | 6.2 | 4.2 |
CC(1/2) | 0.978 | 0.883 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6.8 | 289 | 0.1M citric acid (pH 3.5), 3M NaCl |