6Y14
Bicyclic peptide bp65 crystallized as racemic mixture at 0.9 Angstrom resolution
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-12-20 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 0.8 |
| Spacegroup name | P -1 |
| Unit cell lengths | 16.482, 26.209, 29.909 |
| Unit cell angles | 111.28, 92.26, 101.96 |
Refinement procedure
| Resolution | 27.700 - 0.900 |
| R-factor | 0.1913 |
| Rwork | 0.126 |
| Structure solution method | AB INITIO PHASING |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.822 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | SHELX |
| Refinement software | SHELX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.700 | 0.920 |
| High resolution limit [Å] | 0.900 | 0.900 |
| Rmerge | 0.165 | 0.247 |
| Rmeas | 0.233 | 0.349 |
| Rpim | 0.165 | 0.247 |
| Number of reflections | 29455 | 1448 |
| <I/σ(I)> | 4.5 | 2.2 |
| Completeness [%] | 87.7 | 84.73 |
| Redundancy | 1.76 | 1.76 |
| CC(1/2) | 0.925 | 0.886 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 291 | 0.1 M Sodium citrate tribasic dihydrate pH 5.6, 35% v/v tert-Butanol |
