MOR 90

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: MOR91 MOR94 MOR95 MOR100
X-Ray Data Summary
formulaC23 H28 N3 O6
space groupP212121
Cell Crystal
a 11.817(1) Ang. description Block
b 21.528(3) Ang. colour Colorless
c 9.391(1) Ang. size (mm) 0.4x0.3x0.2
alpha 90.0 deg. Dx (g/ml) 1.230
beta 90.0 deg. F(000) 940
gamma 90.0 deg. mu(CuKa) 0.742
volume 2389.0(6) Ang^3
Z 4
Refinement Diffrn measurement
Flack 0.64(65) device type Rigaku AFC5R/RU-200
parameters 303 decay -0.71 %
restraints 0 index limit 0-h-13,0-k-24,0-L-10
R_factor_all 0.0897 theta (deg.) 4.1 - 62.08
R_factor_gt 0.0849 total reflections 2167
wR_factor_ref 0.2641 reflections(obs) 2032 .gt. 2sigma(I)
wR_factor_gt 0.2275 Structure
shift/su_max .lt.0.001 solution SHELXS-86
shift/su_mean .lt.0.001 refinement SHELXL-93

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Date: Jan.1998