Journal: Biochemistry / Year: 2006 Title: Coiled coils at the edge of configurational heterogeneity. Structural analyses of parallel and antiparallel homotetrameric coiled coils reveal configurational sensitivity to a single solvent- ...Title: Coiled coils at the edge of configurational heterogeneity. Structural analyses of parallel and antiparallel homotetrameric coiled coils reveal configurational sensitivity to a single solvent-exposed amino acid substitution. Authors: Yadav, M.K. / Leman, L.J. / Price, D.J. / Brooks 3rd, C.L. / Stout, C.D. / Ghadiri, M.R.
Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 1.7→52.13 Å / Cor.coef. Fo:Fc: 0.914 / Cor.coef. Fo:Fc free: 0.858 / SU B: 2.563 / SU ML: 0.087 / Cross valid method: THROUGHOUT / ESU R: 0.14 / ESU R Free: 0.151 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. R-FREE IS HIGHER THEN EXPECTED BUT CONSISTENT WITH RELATED SEQUENCES IN SAME LATTICE. ELECTRON DENSITY MAPS ARE EXCELLENT.
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.316
355
4.6 %
RANDOM
Rwork
0.245
-
-
-
obs
0.248
7379
98.2 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK