7LIB
X-ray crystal structure of a cyclic peptide containing beta-2-microglobulin (63-69) and a gamma-methylornithine turn unit
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-03-01 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.000 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 38.574, 38.574, 34.925 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.280 - 1.100 |
| R-factor | 0.179 |
| Rwork | 0.177 |
| R-free | 0.20830 |
| Structure solution method | SAD |
| RMSD bond length | 0.015 |
| RMSD bond angle | 2.115 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | AutoSol |
| Refinement software | PHENIX (1.19_4092) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.280 | 1.050 |
| High resolution limit [Å] | 1.030 | 1.030 |
| Rmerge | 0.108 | |
| Number of reflections | 5812 | 40 |
| <I/σ(I)> | 20.4 | |
| Completeness [%] | 85.3 | |
| Redundancy | 20.7 | |
| CC(1/2) | 0.994 | 0.737 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 0.1 M SPG buffer, pH 10.5, 31% PEG1500 |
