7Z0K
human PEX13 SH3 in complex with PEX5 W4 (WxxxF/Y) motif
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, DESY BEAMLINE P11 |
Synchrotron site | PETRA III, DESY |
Beamline | P11 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-08-08 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 1.000029 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 87.662, 87.662, 66.112 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 49.910 - 2.300 |
R-factor | 0.1939 |
Rwork | 0.193 |
R-free | 0.21680 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7z0j |
RMSD bond length | 0.010 |
RMSD bond angle | 1.720 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.910 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Number of reflections | 13362 | 1275 |
<I/σ(I)> | 17 | |
Completeness [%] | 100.0 | |
Redundancy | 20 | |
CC(1/2) | 0.992 | 0.588 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.2 M Sodium sulfate 0.1 M Bis Tris propane pH 6.5 20% (w/v) PEG 3350 |