4WC8
Heterogeneous dodecamer formed from macrocycles containing a sequence from beta-2-microglobulin(63-69).
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-07-25 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.98 |
Spacegroup name | P 41 2 2 |
Unit cell lengths | 58.048, 58.048, 112.954 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 31.588 - 1.908 |
R-factor | 0.1736 |
Rwork | 0.169 |
R-free | 0.21860 |
Structure solution method | SAD |
RMSD bond length | 0.008 |
RMSD bond angle | 1.178 |
Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 31.590 | 1.976 |
High resolution limit [Å] | 1.908 | 1.908 |
Rmerge | 0.084 | 0.538 |
<I/σ(I)> | 12.15 | 2.61 |
Completeness [%] | 99.2 | 96.93 |
Redundancy | 5.5 | 4.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 0.1 M Tris, pH 7.5, 0.2 M Li2SO4, 30% PEG 400 |