Dear all, I am using Refmac version 5.5.0088. The data are twinning, so the key word 'twin' was added into the scripts. The refinement result is as pasted below:
REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5.5.0088 REMARK 3 AUTHORS : MURSHUDOV,VAGIN,DODSON REMARK 3 REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.30 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 20.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : NONE REMARK 3 COMPLETENESS FOR RANGE (%) : 86.58 REMARK 3 NUMBER OF REFLECTIONS : 32643 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING + TEST SET) : 0.22929 REMARK 3 R VALUE (WORKING SET) : 0.22749 REMARK 3 FREE R VALUE : 0.26464 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 4.9 REMARK 3 FREE R VALUE TEST SET COUNT : 1689 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 20 REMARK 3 BIN RESOLUTION RANGE HIGH : 2.296 REMARK 3 BIN RESOLUTION RANGE LOW : 2.355 REMARK 3 REFLECTION IN BIN (WORKING SET) : 0 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 0.00 REMARK 3 BIN R VALUE (WORKING SET) : 0.000 REMARK 3 BIN FREE R VALUE SET COUNT : 0 REMARK 3 BIN FREE R VALUE : 0.000 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. Why are the value of REFLECTION IN BIN, BIN COMPLETENESS, BIN FREE R VALUE SET COUNT, BIN FREE R VALUE all zero? Another question is that, my data is of 2.38 angstron resolutiom, but refinement result lists a high resolution of 2.3 angstrom. If I did not add the keyword 'twin', all the results are normal. Thanks and best wishes. -- Jiamu Du, Ph.D. State Key Laboratory of Molecular Biology Institute of Biochemistry and Cell Biology Shanghai Institutes for Biological Sciences Chinese Academy of Sciences 320 Yue-Yang Road Shanghai 200031 P. R. China Tel: +86-21-5492-1117 E-mail: [email protected]
