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3HEZ

Exploring backbone pattern in alpha/beta-peptide helix bundles: The GCN4-pLI side chain sequence on different (alpha-alpha-alpha-beta) backbones

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsBRUKER AXS MICROSTAR
Temperature [K]100
Detector technologyCCD
Collection date2007-04-27
DetectorBRUKER SMART 6000
Wavelength(s)1.5418
Spacegroup nameP 1 21 1
Unit cell lengths31.817, 43.082, 37.001
Unit cell angles90.00, 96.00, 90.00
Refinement procedure
Resolution22.840 - 2.000
R-factor0.1592
Rwork0.157
R-free0.20148
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1gcm
RMSD bond length0.009
RMSD bond angle1.644
Data reduction softwarePROTEUM PLUS (PLUS)
Data scaling softwarePROTEUM PLUS (PLUS)
Phasing softwarePHASER
Refinement softwareREFMAC (5.2.0019)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]22.8402.100
High resolution limit [Å]2.0002.000
Number of reflections6732
<I/σ(I)>204.7
Completeness [%]97.891.9
Redundancy4.41.6
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP8.52980.1 M Tris pH 8.5, 25% v/v tert-butanol, VAPOR DIFFUSION, HANGING DROP, temperature 298K

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