9CS9
KHNYN KH1-KH2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-06-30 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.033167 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 82.269, 82.269, 177.224 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.630 - 2.500 |
| R-factor | 0.2005 |
| Rwork | 0.198 |
| R-free | 0.24010 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.990 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.20.1-4487-000) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.630 | 2.650 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Number of reflections | 40169 | 21967 |
| <I/σ(I)> | 0.15 | |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 12.7 | 12.4 |
| CC(1/2) | 0.999 | 0.876 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 100 mM Tris pH 8.0, 1.4 M Li2SO4, 5% methanol |
