5HOX
X-ray crystallographic structure of an A-beta 17_36 beta-hairpin. Synchrotron data set. (LVFFAEDCGSNKCAII(SAR)LMV).
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.1 |
Synchrotron site | ALS |
Beamline | 8.2.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-10-25 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.998 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 97.369, 97.369, 97.591 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 30.350 - 1.900 |
R-factor | 0.2227 |
Rwork | 0.220 |
R-free | 0.25040 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5how |
RMSD bond length | 0.019 |
RMSD bond angle | 1.623 |
Data reduction software | MOSFLM (7.2.1) |
Data scaling software | Aimless (0.5.17) |
Phasing software | PHASER (1.10.1_2155) |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.350 | 1.968 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.013 | 0.912 |
Number of reflections | 22069 | |
<I/σ(I)> | 13.82 | 0.59 |
Completeness [%] | 99.0 | 100 |
Redundancy | 2 | 2 |
CC(1/2) | 1.000 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.1 | 296 | 0.1 M HEPES Buffer, 29% (v/v) Jeffamine M-600 |