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
| formula | C37 H53 N5 O8 | ||
| weight | 695.84 | ||
| symmetry | orthorhombic | ||
| space group | P212121 | ||
| 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