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8GJC

X-ray crystallographic structure of a beta-hairpin peptide derived from Abeta 17-35. (ORN)LVFFAED(ORN)GAI(N-Me-Ile)GLM

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsALS BEAMLINE 5.0.2
Synchrotron siteALS
Beamline5.0.2
Temperature [K]103.15
Detector technologyPIXEL
Collection date2022-04-21
DetectorDECTRIS PILATUS3 6M
Wavelength(s)0.99999
Spacegroup nameP 32 2 1
Unit cell lengths38.164, 38.164, 32.054
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution23.010 - 1.431
R-factor0.1597
Rwork0.155
R-free0.18070
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)5w4h
RMSD bond length0.006
RMSD bond angle1.146
Data reduction softwareXDS
Data scaling softwareAimless
Phasing softwarePHENIX
Refinement softwarePHENIX (1.20.1_4487)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]23.0101.482
High resolution limit [Å]1.4311.431
Rmerge0.0901.775
Number of reflections9354384
<I/σ(I)>24.44
Completeness [%]97.0
Redundancy16
CC(1/2)0.9990.250
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP298.15Molecular Dynamics Morpheus solution containing 0.12M ethylene glycols mix, 0.1M Buffer System 3 pH 8.5, and 37.5% v/v precipitant mix 4. Molecular Dynamics ethylene glycols mix consists of 0.3 M diethylene glycol, 0.3 M triethylene glycol, 0.3 M tetraethylene glycol, 0.3 M penta(ethylene glycol). Molecular Dynamics Buffer System 3 consists of 1 M BICINE and 1 M Trisma Base. Molecular Dynamics precipitant mix 4 consists of 25 % w/v hexylene glycol, 25 % w/v poly(ethylene glycol) 1000, and 25 % w/v poly(ethylene glycol) 3350.

222036

PDB entries from 2024-07-03

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