9BNI
X-ray crystal structure of Cu-TZ4H-H3AH10D tryptophan zipper metallo-beta-sheet peptide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-D |
Synchrotron site | APS |
Beamline | 21-ID-D |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-02-15 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 1.0 |
Spacegroup name | I 21 3 |
Unit cell lengths | 45.518, 45.518, 45.518 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 22.760 - 1.200 |
Rwork | 0.170 |
R-free | 0.21000 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 2.009 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 22.760 | 1.243 |
High resolution limit [Å] | 1.200 | 1.200 |
Number of reflections | 5049 | 492 |
<I/σ(I)> | 24.68 | |
Completeness [%] | 100.0 | 100 |
Redundancy | 39.6 | |
CC(1/2) | 1.000 | 0.781 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 1.8 M Ammonium Sulfate 0.1 M BIS-TRIS pH6.5 2% v/v PEG Monomethyl Ether 550 |