5HPP
Crystal structure of a macrocyclic beta-sheet peptide derived from transthyretin (106-121) - (ORN)TIA(MAA)LLS(ORN)S(PHI)STTAV
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-003 |
Temperature [K] | 133 |
Detector technology | CCD |
Collection date | 2015-08-29 |
Detector | RIGAKU SATURN 92 |
Wavelength(s) | 1.54 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 42.300, 42.300, 16.320 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 21.150 - 2.082 |
R-factor | 0.162 |
Rwork | 0.159 |
R-free | 0.18390 |
Structure solution method | SAD |
RMSD bond length | 0.006 |
RMSD bond angle | 0.971 |
Data reduction software | MOSFLM (7.2.1) |
Data scaling software | Aimless (0.5.17) |
Phasing software | PHASER ((1.10.1_2155: 000)) |
Refinement software | PHENIX ((1.10.1_2155: 000)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 21.150 | 2.157 |
High resolution limit [Å] | 2.082 | 2.082 |
Rmerge | 0.049 | 0.110 |
Number of reflections | 2053 | |
<I/σ(I)> | 13.92 | 5.49 |
Completeness [%] | 100.0 | 100 |
Redundancy | 2 | 2 |
CC(1/2) | 0.994 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.3 | 297 | 0.1 M NaOAc pH 5.3, 0.2 M CaCl2, and 31% isopropanol |