5BVL
Crystal structure of a de novo designed TIM-barrel
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-11-02 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.00000 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 50.080, 50.080, 131.280 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.790 - 1.992 |
| R-factor | 0.2254 |
| Rwork | 0.224 |
| R-free | 0.26070 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Rosetta backbone model |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.215 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.790 | 2.064 |
| High resolution limit [Å] | 1.992 | 1.992 |
| Rmerge | 0.058 | 0.661 |
| Number of reflections | 11894 | |
| <I/σ(I)> | 15.24 | 1.79 |
| Completeness [%] | 98.3 | 93.2 |
| Redundancy | 5.86 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 5.5 | 293 | 25% PEG 3350, 0.2M magnesium chloride hexahydrate, 0.1M bis-tris |
