8TKU
ZIG-4-INS-6 complex, primitive monoclinic 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 1 21 1 |
| Unit cell lengths | 73.839, 55.739, 149.945 |
| Unit cell angles | 90.00, 93.78, 90.00 |
Refinement procedure
| Resolution | 74.810 - 2.350 |
| R-factor | 0.1983 |
| Rwork | 0.197 |
| R-free | 0.23980 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.002 |
| Data reduction software | XDS (20190806) |
| Data scaling software | XDS (20190806) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 200.000 | 2.490 |
| High resolution limit [Å] | 2.350 | 2.350 |
| Rmerge | 0.062 | 1.248 |
| Number of reflections | 50159 | 7983 |
| <I/σ(I)> | 10.7 | 0.9 |
| Completeness [%] | 97.9 | 97.1 |
| Redundancy | 3.1 | 3.1 |
| CC(1/2) | 0.998 | 0.463 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 295 | 0.2 M sodium iodide, 0.1 M bis-tris propane, pH 6.5, 20% PEG 3350 |
