SHEET THE SHEET STRUCTURE OF THIS MOLECULE IS BIFURCATED. IN ORDER TO REPRESENT THIS FEATURE IN ... SHEET THE SHEET STRUCTURE OF THIS MOLECULE IS BIFURCATED. IN ORDER TO REPRESENT THIS FEATURE IN THE SHEET RECORDS BELOW, TWO SHEETS ARE DEFINED.
Resolution: 3.2→20 Å / Isotropic thermal model: GROUP / Cross valid method: THROUGHOUT / σ(F): 3 / Stereochemistry target values: TWIN_LSQ Details: 1. BULK SOLVENT MODEL USED. 2. THE DATA WERE MEROHEDRALLY TWINNED IN THE SPACE GROUP P61 WITH THE TWIN LAW H,-H-K,-L. THE TWINNING FRACTION WAS 0.432. 3. THE REFINEMENT WAS AGAINST THE NON- ...Details: 1. BULK SOLVENT MODEL USED. 2. THE DATA WERE MEROHEDRALLY TWINNED IN THE SPACE GROUP P61 WITH THE TWIN LAW H,-H-K,-L. THE TWINNING FRACTION WAS 0.432. 3. THE REFINEMENT WAS AGAINST THE NON-DETWINNED DATA USING CNS IN THE TWIN MODE. 4. ALL R FACTORS, ARE SO CALLED TWINNED R FACTORS, AND ARE CALCULATED FROM THE DIFFERENCE BETWEEN THE TWINNED FOBS AND THE TWINNED FCALC. 5. STRICT NCS BETWEEN MOLECULES A, D,F AND B,E,G WERE FIRST USED. RESTRAINT NCS WERE USED FOR THE LATEST STAGES OF REFINEMENT.
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