9DD3
Crystal Structure of Designed allosteric facilitated dissociation switch AS5 in complex state HE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS-II BEAMLINE 17-ID-2 |
| Synchrotron site | NSLS-II |
| Beamline | 17-ID-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-11-17 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.92009 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 90.171, 35.663, 75.522 |
| Unit cell angles | 90.00, 116.20, 90.00 |
Refinement procedure
| Resolution | 31.690 - 1.640 |
| R-factor | 0.2059 |
| Rwork | 0.202 |
| R-free | 0.25140 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.525 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (dev_4761) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.690 | 1.680 |
| High resolution limit [Å] | 1.640 | 1.640 |
| Rmerge | 0.062 | 0.062 |
| Rpim | 0.054 | 0.054 |
| Number of reflections | 24348 | 1919 |
| <I/σ(I)> | 6.62 | |
| Completeness [%] | 91.0 | 95 |
| Redundancy | 1.9 | 1.9 |
| CC(1/2) | 0.993 | 0.717 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 0.2 M Magnesium chloride hexahydrate, 0.1 M Tris pH 8.5 and 25% w/v Polyethylene glycol 3,350 |
