9QTH
Inquilinus NrnC
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, DESY BEAMLINE P11 |
| Synchrotron site | PETRA III, DESY |
| Beamline | P11 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-02-05 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 1.033200 |
| Spacegroup name | P 4 21 2 |
| Unit cell lengths | 120.708, 120.708, 71.764 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.190 - 1.800 |
| R-factor | 0.1769 |
| Rwork | 0.177 |
| R-free | 0.19910 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.892 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.190 | 1.864 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.179 | 2.332 |
| Number of reflections | 49513 | 4828 |
| <I/σ(I)> | 19.75 | |
| Completeness [%] | 99.8 | 99.73 |
| Redundancy | 18.4 | 18.9 |
| CC(1/2) | 0.998 | 0.793 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 292 | 0.2 M magnesium chloride, 0.1 M Bis-Tris (pH 5.5), 25% PEG 3350 |
