International
Tables for
Crystallography
Volume F
Crystallography of biological macromolecules
Edited by M. G. Rossmann and E. Arnold

© International Union of Crystallography 2006
International Tables for Crystallography (2006). Vol. F. ch. 13.4, p. 284

Table 13.4.7.1 

M. G. Rossmanna* and E. Arnoldb

aDepartment of Biological Sciences, Purdue University, West Lafayette, IN 47907-1392, USA, and  bBiomolecular Crystallography Laboratory, CABM & Rutgers University, 679 Hoes Lane, Piscataway, NJ 08854-5638, USA
Correspondence e-mail:  mgr@indiana.bio.purdue.edu

Table 13.4.7.1 | top | pdf |
Mean root-mean-square scatter between noncrystallographically related points

Example taken from φX174 structure determination. [\langle\rho_{8}\rangle] is proportional to the mean density (e Å−3) based on eight-point interpolation; n is number of grid points with [\langle\rho_{8}\rangle] in a given range; [\langle\sigma (\rho_{8})\rangle] is the root-mean-square deviation from [\rho_{8}] among noncrystallographic asymmetric points averaged over all points in the mask.

[\langle\rho_{8}\rangle] Density derived from an electron microscopy image at 25 Å resolution Density derived from a 3.3 Å crystal structure
n [\langle\sigma (\rho_{8})\rangle] n [\langle\sigma (\rho_{8})\rangle]
−375 to −325 1 44.7 0 0.0
−325 to −275 16 44.4 0 0.0
−275 to −225 22 39.5 41 31.4
−225 to −175 81 34.9 3493 25.5
−175 to −125 299 34.7 65049 20.5
−125 to −75 1119 33.1 290025 17.7
−75 to −25 16617 34.7 661386 15.0
−25 to 25 33818 46.9 1,016274 12.8
25 to 75 6008 31.9 344620 16.3
75 to 125 4512 32.0 215036 18.9
125 to 175 3050 32.1 146690 22.1
175 to 225 1562 32.6 58155 26.3
225 to 275 542 33.4 6032 32.2
275 to 325 213 35.6 227 40.6
325 to 375 33 34.7 9 46.8