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 |
