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
| formula | C23 H28 N3 O6 | ||
| weight | 442.48 | ||
| symmetry | orthorhombic | ||
| space group | P212121 | ||
| 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 |
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Date: Jan.1998