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
| formula | C37 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