MOR 95

Two independent molecules exist in crystal,
one is a left-handed form and another is a right-handed form

Big figure(212KB) is HERE showing the relative position between two independent molecules

This structer was produced by RasMol,
and stucked by GifBuilder (Yves Piguet, 1997)

Related Paper:
Toniolo,C., Crisma,M., Formaggio,F., Polese,A., Doi,M., Ishida,T., Mossel,E., Broxterman,Q., Kamphuis,J.
Effect of phenyl ring position in the Calpha-methylated alpha-amino acid side chain on peptide preferred conformation.
Biopolymers, 40(5), 523-527 (1996)

Series of peptides: MOR90 MOR91 MOR94 MOR100
X-Ray Data Summary
formulaC37 H53 N5 O8
space groupP212121
Cell Crystal
a 15.796(4) Ang. description Needle
b 43.759(12) Ang. colour Colorless
c 11.622(3) Ang. size (mm) 0.4x0.05x0.05
alpha 90.0 deg. Dx (g/ml) 1.151
beta 90.0 deg. F(000) 2992
gamma 90.0 deg. mu(CuKa) 0.663
volume 8033.6(37) Ang^3
Z 8
Refinement Diffrn measurement
Flack -1.68(99) device type Rigaku AFC5R/RU-200
parameters 926 decay -1.28 %
restraints 0 index limit 0-h-18,0-k-50,0-L-13
R_factor_all 0.2273 theta (deg.) 2.97 - 62.54
R_factor_gt 0.1166 total reflections 7137
wR_factor_ref 0.9563 reflections(obs) 4111 .gt. 2sigma(I)
wR_factor_gt 0.2921 Structure
shift/su_max 1.131 solution SnB
shift/su_mean 0.018 refinement SHELXL-93

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Date: Jan.1998