9PJ1
Crystal structure of a synthetic Fab (4R) in complex with the ternary assembly of FKBP12, Rapamycin, and the FRB domain of mTOR
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 | 2019-12-03 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 62.720, 72.860, 85.900 |
| Unit cell angles | 90.00, 103.05, 90.00 |
Refinement procedure
| Resolution | 61.180 - 2.050 |
| Rwork | 0.199 |
| R-free | 0.22870 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.874 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0430 (REFMACAT 0.4.105)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 61.180 | 2.090 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Number of reflections | 46596 | 4625 |
| <I/σ(I)> | 4.96 | 1.33 |
| Completeness [%] | 98.1 | |
| Redundancy | 1.9 | |
| CC(1/2) | 0.993 | 0.363 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293.15 | 0.15 M Ammonium sulfate, 0.1 M TRIS pH 8.0, 17.5% PEG 4000 |
