4P4W
Dodecamer formed by a macrocyclic peptide derived from beta-2-microglobulin (63-69) - (ORN)YLL(PHI)YTE(ORN)KVA(MVA)AVK
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.2 |
Synchrotron site | ALS |
Beamline | 8.2.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-06-14 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.0 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 58.193, 58.193, 121.279 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 31.534 - 1.498 |
R-factor | 0.1763 |
Rwork | 0.174 |
R-free | 0.20880 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.463 |
Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 31.534 | 1.552 |
High resolution limit [Å] | 1.498 | 1.498 |
Rmerge | 0.035 | 0.162 |
Number of reflections | 77828 | |
<I/σ(I)> | 10.74 | 4.63 |
Completeness [%] | 99.8 | 97.94 |
Redundancy | 2 | 2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 0.1 M Tris, pH 8.0; 1.5 M ammonium sulfate |