MOR 100

This structer was produced by RasMol,
and stucked by GifBuilder 0.5 (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 MOR95
X-Ray Data Summary
formulaC37 H51 Br N5 O6 BR, H2O
weight 762.7
symmetry triclinic
space group P1
Cell Crystal
a 10.749(1) Ang. description Bar
b 11.820(1) Ang. colour Colorless
c 9.489(1) Ang. size (mm) 0.3x0.15x0.15
alpha 91.153(9) deg. Dx (g/ml) 1.289
beta 112.152(9) deg. F(000) 409
gamma 65.192(8) deg. mu(CuKa) 1.846
volume 999.7(2) Ang^3
Z 1
Refinement Diffrn measurement
Flack 0.023(14) device type Rigaku AFC5R/RU-200
parameters 464 decay -2.32 %
restraints 3 index limit -12-h-12,-13-k-13,-10-L-10
R_factor_all 0.0435 theta (deg.) 4.18 - 62.77
R_factor_gt 0.0399 total reflections 6379
wR_factor_ref 0.1103 reflections(obs) 6088 .gt. 2sigma(I)
wR_factor_gt 0.1025 Structure
shift/su_max 0.011 solution SHELXS-86
shift/su_mean .lt.0.001 refinement SHELXL-93

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Date: Jan.1998