6Y1S
Bicyclic peptide bp70 in I4132 at 1.0 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 | 2019-02-23 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 1.000036 |
| Spacegroup name | I 41 3 2 |
| Unit cell lengths | 55.459, 55.459, 55.459 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.240 - 1.040 |
| R-free | 0.23450 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6y13 |
| RMSD bond length | 0.025 |
| RMSD bond angle | 0.514 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER (2.7.16) |
| Refinement software | SHELX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.240 | 1.060 |
| High resolution limit [Å] | 1.040 | 1.040 |
| Rmerge | 0.047 | 2.927 |
| Rmeas | 0.045 | |
| Rpim | 0.006 | |
| Number of reflections | 7245 | 2124 |
| <I/σ(I)> | 51.2 | 1 |
| Completeness [%] | 99.9 | 98.58 |
| Redundancy | 65 | 19.1 |
| CC(1/2) | 1.000 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 291 | 0.2 M CALCIUM CHLORIDE DIHYDRATE, 0.1 M SODIUM ACETATE TRIHYDRATE PH 4.6, 20% V/V 2-PROPANOL |
