6B17
Design of a short thermally stable alpha-helix embedded in a macrocycle
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-10-25 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.11587 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 36.758, 35.583, 38.076 |
| Unit cell angles | 90.00, 118.88, 90.00 |
Refinement procedure
| Resolution | 16.780 - 1.250 |
| R-factor | 0.13302 |
| Rwork | 0.132 |
| R-free | 0.14762 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | NMR model |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.258 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.100 | 1.290 |
| High resolution limit [Å] | 1.250 | 1.250 |
| Rmerge | 0.044 | 0.267 |
| Number of reflections | 21799 | 1366 |
| <I/σ(I)> | 26.9 | 4 |
| Completeness [%] | 90.9 | 58.2 |
| Redundancy | 3.7 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 298 | 0.1 M Na3Cit, 0.6 M NH4H2PO4, pH 5.6 |
