9DT9
Crystal Structure of 231_C2_TrkA
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 | 2023-10-13 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97934 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 41.467, 60.459, 51.880 |
| Unit cell angles | 90.00, 94.09, 90.00 |
Refinement procedure
| Resolution | 51.750 - 2.200 |
| R-factor | 0.232 |
| Rwork | 0.226 |
| R-free | 0.28630 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.332 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (dev_4761) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 51.750 | 2.290 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.118 | 0.644 |
| Rpim | 0.060 | 0.329 |
| Number of reflections | 13026 | 1449 |
| <I/σ(I)> | 8.69 | 2.1 |
| Completeness [%] | 99.4 | 99.66 |
| Redundancy | 4.7 | 4.7 |
| CC(1/2) | 0.999 | 0.851 |
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 |
