A: Heterochromatin-associated protein MENT B: Heterochromatin-associated protein MENT C: Heterochromatin-associated protein MENT D: Heterochromatin-associated protein MENT
解像度: 3→20 Å / Redundancy reflection obs: 2.5 / Data cutoff high absF: 0 / Data cutoff low absF: 0 / σ(F): 0 / 立体化学のターゲット値: ENGH & HUBER 詳細: THE DATA IS TWINNED. THE TWINNING OPERATOR IS (H,K,L)-> (H+K,-K,-L) AND THE ESTIMATED PARTIAL TWINNING FRACTION IS 0.44. THE TWINNED R-FACTORS ARE 29.7% (OBS), 29.7%(WORK) AND 32.4%(FREE). ...詳細: THE DATA IS TWINNED. THE TWINNING OPERATOR IS (H,K,L)-> (H+K,-K,-L) AND THE ESTIMATED PARTIAL TWINNING FRACTION IS 0.44. THE TWINNED R-FACTORS ARE 29.7% (OBS), 29.7%(WORK) AND 32.4%(FREE). THE TWINNED BIN R-FACTORS ARE 36.0(WORK) AND 37.0(FREE). AT THIS TWINNING FRACTION, THE ESTIMATE IS LIKELY TO BE INACCURATE. HENCE, THE DATA WAS ARTIFICIALLY PERFECTLY TWINNED (=0.5) BY AVERAGING TWIN- RELATED REFLECTIONS. TO AVOID TEST-SET BIAS, TWIN-RELATED REFLECTIONS WERE RANDOMLY SELECTED IN PAIRS AND EXCLUDED FROM REFINEMENT FOR THE CALCULATION OF RFREE. CYCLES OF RIGID BODY REFINEMENT, SIMULATED ANNEALING, B-FACTOR REFINEMENT AND MAP BUILDING WERE UNDERTAKEN IN CNS USING THE XTAL_TWIN SUITE OF SCRIPTS.IN ORDER TO MAXIMISE THE OBSERVATION-TO-PARAMETER RATIO, STRICT CONSTRAINTS WERE APPLIED DURING REFINEMENT WITH CNS; AS SUCH, THE FOUR CHAINS ARE IDENTICAL AND RELATED PURELY BY COORDINATE TRANSFORMATION.