4X0S
Hexamer formed by a macrocycle containing a sequence from beta-2-microglobulin (63-69).
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-04-11 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 51.065, 51.065, 31.423 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 25.617 - 2.032 |
| R-factor | 0.1681 |
| Rwork | 0.165 |
| R-free | 0.20210 |
| Structure solution method | SAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.187 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.617 | 2.103 |
| High resolution limit [Å] | 2.032 | 2.032 |
| Rmerge | 0.066 | 0.104 |
| Number of reflections | 1072 | |
| <I/σ(I)> | 49.07 | 16.4 |
| Completeness [%] | 98.9 | 93.33 |
| Redundancy | 7.1 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 278 | 0.1 M Tris at pH 8.5, 0.2 M Li2SO4, and PEG 400 30% |
