8TK9
ZIG-4-INS-6 complex, tetragonal form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-E |
Synchrotron site | APS |
Beamline | 24-ID-E |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-10-25 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97918 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 74.528, 74.528, 107.058 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.280 - 1.300 |
R-factor | 0.1459 |
Rwork | 0.145 |
R-free | 0.16890 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.012 |
RMSD bond angle | 1.291 |
Data reduction software | XDS (20190806) |
Data scaling software | XDS (20190806) |
Phasing software | PHASER |
Refinement software | PHENIX (1.21rc1_5015) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 200.000 | 1.380 |
High resolution limit [Å] | 1.300 | 1.300 |
Rmerge | 0.046 | 1.201 |
Number of reflections | 73877 | 11707 |
<I/σ(I)> | 24 | 1.78 |
Completeness [%] | 99.8 | 99.4 |
Redundancy | 12.8 | 12.2 |
CC(1/2) | 0.999 | 0.742 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 295 | 0.1 M NaCl, 0.1 M sodium cacodylate, pH 6.5, 2 M (NH4)2SO4 |