8TKT
ZIG-4-INS-6 complex, C-centered 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 | C 1 2 1 |
| Unit cell lengths | 166.430, 56.654, 73.685 |
| Unit cell angles | 90.00, 113.25, 90.00 |
Refinement procedure
| Resolution | 53.130 - 2.300 |
| R-factor | 0.2172 |
| Rwork | 0.215 |
| R-free | 0.25180 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.631 |
| 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 | 2.440 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.071 | 1.131 |
| Number of reflections | 28028 | 4412 |
| <I/σ(I)> | 9.7 | 1.1 |
| Completeness [%] | 98.4 | 96.7 |
| Redundancy | 3.4 | 3.3 |
| CC(1/2) | 0.998 | 0.652 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 295 | 0.2 M sodium/potassium phosphate, 0.1 M bis-tris propane, pH 6.8, 28% PEG 3350 |
