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Table 1 Data collection and Refinement parameters for Ac-Gly-Ala-ΔPhe-Leu-Gly-ΔPhe-Leu-Gly-ΔPhe-Ala-Gly-NH2.

From: Observation of glycine zipper and unanticipated occurrence of ambidextrous helices in the crystal structure of a chiral undecapeptide

Empirical Formula C55 H70 N12 O12·3H2O
Molecular weight (1091 + 54) Da
Temperature 100 K
Crystal System Triclinic
Space Group P1
Cell Parameter a = 11.2555(6) Å, b = 12.5450(6) Å, c = 21.6444(14) Å α = 75.460(2)°, β = 89.369(2)°,γ = 80.988(5)°
Cell Volume 2920.5(3)Å 3
Z (molecules/unit cell) 2
Molecules/asymmetric Unit 2
Density Calculated 1.241 g cm-3
μ 8.9 cm-1
Radiation used (λ = 0.92015 Å)
Resolution 0.88 Å
Unique reflections 8082
Observed reflections 7057 [|Fo| > 4σ(|Fo|)]
Structure Solution SHELXS97
Refinement Procedure Full-matrix least-squares refinement on |Fo|2 using SHELXL97
Number of parameter refined 1457
Data/Parameter 4.8
R 0.0667 (for [|Fo| > 4σ(|Fo|)])
wR2 0.1853 (for all unique reflections)
GooF (s) 1.076
Residual electron density Max. = 0.41 e/Å 3 Min = -0.31 e/Å 3