MOR 91

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 MOR94 MOR95 MOR100
X-Ray Data Summary
formulaC23 H28 N3 O6
space groupP212121
Cell Crystal
a 9.708(2) Ang. description Plate
b 28.794(6) Ang. colour Colorless
c 8.540(3) Ang. size (mm) 0.5x0.3x0.01
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 2387.3(11) Ang^3
Z 4
Refinement Diffrn measurement
Flack 0.45(51) device type Rigaku AFC5R/RU-200
parameters 302 decay -2.75 %
restraints 0 index limit 0-h-11,0-k-33,0-L-9
R_factor_all 0.0753 theta (deg.) 3.07 - 62.11
R_factor_gt 0.0608 total reflections 2179
wR_factor_ref 0.3426 reflections(obs) 1881 .gt. 2sigma(I)
wR_factor_gt 0.1509 Structure
shift/su_max 0.001 solution SHELXS-86
shift/su_mean .lt.0.001 refinement SHELXL-93

Get PDB coordinates

Back to the structure index

Date: Jan.1998