6V8E
Computationally designed C3-symmetric homotrimer from TPR repeat protein
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.1 |
| Synchrotron site | ALS |
| Beamline | 8.2.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-05-10 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 69.470, 64.910, 99.030 |
| Unit cell angles | 90.00, 106.33, 90.00 |
Refinement procedure
| Resolution | 38.870 - 2.530 |
| R-factor | 0.18821 |
| Rwork | 0.186 |
| R-free | 0.23166 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | designed model from rosetta |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.468 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.900 | 2.620 |
| High resolution limit [Å] | 2.530 | 2.530 |
| Rmerge | 0.143 | 0.802 |
| Rmeas | 0.161 | 0.903 |
| Rpim | 0.073 | 0.411 |
| Number of reflections | 28508 | 2836 |
| <I/σ(I)> | 9.5 | 2.16 |
| Completeness [%] | 99.8 | 99.89 |
| Redundancy | 4.6 | 4.6 |
| CC(1/2) | 0.994 | 0.729 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4 | 277 | 1M LiCl 100mM citrate 20% w/v PEG 6000 pH 4 |
