4NW9
Crystal structure of macrocycles containing Abeta17-23 (LVF(MEA)AED) and Abeta30-36 (AIIGL(ORN)V)
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] | 200 |
Detector technology | CCD |
Collection date | 2013-11-01 |
Detector | ADSC QUANTUM 315r |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 68.220, 68.220, 92.990 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 36.540 - 1.660 |
R-factor | 0.19 |
Rwork | 0.189 |
R-free | 0.20900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4nw8 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.590 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 36.540 | 1.700 |
High resolution limit [Å] | 1.654 | 1.650 |
Rmerge | 0.052 | |
Number of reflections | 29970 | |
<I/σ(I)> | 13.78 | |
Completeness [%] | 98.4 | 87.9 |
Redundancy | 5.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.5 | 298 | 0.1 M HEPES, 24% Jeffamine M-600, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |