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% |