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 |