MOR 94

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 MOR95 MOR100
X-Ray Data Summary
formulaC31 H49 N5 O7
space groupP212121
Cell Crystal
a 15.277(2) Ang. description Plate
b 20.729(3) Ang. colour Colorless
c 11.551(2) Ang. size (mm) 0.6x0.3x0.1
alpha 90.0 deg. Dx (g/ml) 1.096
beta 90.0 deg. F(000) 1304
gamma 90.0 deg. mu(CuKa) 0.636
volume 3658.0(9) Ang^3
Z 4
Refinement Diffrn measurement
Flack 0.08(35) device type Rigaku AFC5R/RU-200
parameters 402 decay 0.44 %
restraints 0 index limit 0-h-17,0-k-24,0-L-13
R_factor_all 0.0572 theta (deg.) 3.59 - 63.26
R_factor_gt 0.0524 total reflections 3346
wR_factor_ref 0.1626 reflections(obs) 3122 .gt. 2sigma(I)
wR_factor_gt 0.1525 Structure
shift/su_max 0.009 solution SHELXS-86
shift/su_mean 0.001 refinement SHELXL-93

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Date: Jun.1998