7A8S
de novo designed ba8-barrel sTIM11 with an alpha-helical extension
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-12-11 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 1.000030 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 50.510, 50.510, 133.274 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.230 - 1.580 |
| R-factor | 0.2015 |
| Rwork | 0.200 |
| R-free | 0.23990 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5bvl |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.092 |
| Data reduction software | XDS (20180126) |
| Data scaling software | XSCALE (20180126) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.230 | 1.640 |
| High resolution limit [Å] | 1.580 | 1.580 |
| Rmerge | 0.081 | 2.161 |
| Rmeas | 0.086 | 2.484 |
| Rpim | 0.029 | 1.178 |
| Number of reflections | 197971 | 8063 |
| <I/σ(I)> | 12.75 | 0.4 |
| Completeness [%] | 96.9 | 78.4 |
| Redundancy | 8.1 | 3.8 |
| CC(1/2) | 0.999 | 0.321 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 0.2M Lithium sulfate, 0.1M Tris pH 8.5, 30% PEG 4000 |
