8GWH
PTPN21 PTP domain C1108S mutant in complex with SRC pTyr530 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 | 2020-11-12 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97875 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 104.545, 104.545, 71.868 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.750 - 2.000 |
R-factor | 0.1824 |
Rwork | 0.181 |
R-free | 0.20970 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2bzl |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.20rc1_4392) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.750 | 2.071 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.119 | 0.929 |
Rpim | 0.033 | 0.248 |
Number of reflections | 51259 | 2693 |
<I/σ(I)> | 14.13 | |
Completeness [%] | 99.6 | |
Redundancy | 14.3 | |
CC(1/2) | 0.993 | 0.921 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 278 | sodium acetate, PEG 4000 |