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 |