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[Contents scheme]

Acta Cryst. (2013). E69, o419-o420
[ doi:10.1107/S1600536813004546 ]

(S)-N-[(4-{(S)-1-[2-(4-Methoxybenzamido)-2-methylpropanoyl]pyrrolidine-2-carboxamido}-3,4,5,6-tetrahydro-2H-pyran-4-yl)carbonyl]proline dimethyl sulfoxide monosolvate (4-MeBz-Aib-Pro-Thp-Pro-OH)

S. A. Stoykova, A. Linden and H. Heimgartner


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT243_ALERT_4_C High 'Solvent' Ueq as Compared to Neighbors of O3 PLAT243_ALERT_4_C High 'Solvent' Ueq as Compared to Neighbors of C34 PLAT243_ALERT_4_C High 'Solvent' Ueq as Compared to Neighbors of C35 PLAT413_ALERT_2_C Short Inter XH3 .. XHn H221 .. H262 .. 2.10 Ang. PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 2 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 10 PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF .... 5
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 9 PLAT003_ALERT_2_G Number of Uiso or Uij Restrained Atom Sites .... 4 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT244_ALERT_4_G Low 'Solvent' Ueq as Compared to Neighbors of S1A PLAT244_ALERT_4_G Low 'Solvent' Ueq as Compared to Neighbors of S1B PLAT301_ALERT_3_G Note: Main Residue Disorder ................... 3 Perc. PLAT302_ALERT_4_G Note: Anion/Solvent Disorder ................... 25 Perc. PLAT791_ALERT_4_G Note: The Model has Chirality at C2 (Verify) S PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 21 PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 4
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 7 ALERT level C = Check. Ensure it is not caused by an omission or oversight 10 ALERT level G = General information/check it is not something unexpected 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 3 ALERT type 2 Indicator that the structure model may be wrong or deficient 5 ALERT type 3 Indicator that the structure quality may be low 8 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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