Macromolecular dictionary (mmCIF) version 2.0.09

Category CELL

Name:
'cell'

Description:

   Data items in the CELL category record details about the
   crystallographic cell parameters.

Examples:

Example 1 - based on PDB entry 5HVP and laboratory records for the structure corresponding to PDB entry 5HVP.

 
    _cell.entry_id                         '5HVP'
    _cell.length_a                         58.39
    _cell.length_a_esd                      0.05
    _cell.length_b                         86.70
    _cell.length_b_esd                      0.12
    _cell.length_c                         46.27
    _cell.length_c_esd                      0.06
    _cell.angle_alpha                      90.00
    _cell.angle_beta                       90.00
    _cell.angle_gamma                      90.00
    _cell.volume                           234237
    _cell.details
    ; The cell parameters were refined every twenty frames during
      data integration. The cell lengths given are the mean of
      55 such refinements; the esds given are the root mean
      square deviations of these 55 observations from that mean.
    ;

Example 2 - based on data set TOZ of Willis, Beckwith & Tozer [Acta Cryst. (1991), C47, 2276-2277].

 
    _cell.length_a                      5.959
    _cell.length_a_esd                  0.001
    _cell.length_b                     14.956
    _cell.length_b_esd                  0.001
    _cell.length_c                     19.737
    _cell.length_c_esd                  0.003
    _cell.angle_alpha                  90.0
    _cell.angle_beta                   90.0
    _cell.angle_gamma                  90.0
    _cell.volume                       1759.0
    _cell.volume_esd                      0.3

Category groups:
    inclusive_group
    cell_group
Category key:
    _cell.entry_id

Mandatory category: no

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Crystallographic Information Framework

Macromolecular dictionary (mmCIF) version 2.0.09

Category CELL

International Tables for Crystallography

Volume G: Definition and exchange of crystallographic data

Edited by S. R. Hall and B. McMahon

IUCrData