2LZT

Refinement of triclinic lysozyme: II. The method of stereochemically restrained least squares.

(1990) Acta Crystallogr B 46: 63-69

• PubMed: 2302327 Search on PubMed
• DOI: https://doi.org/10.1107/s0108768189009195
• Primary Citation of Related Structures:  
  2LZT


• PubMed Abstract: 
  

  Refinement of triclinic lysozyme by restrained least squares against the 2 A resolution X-ray data is described, beginning with the model from cycle 17 of the preceding paper [Hodsdon, Brown, Sieker & Jensen (1990). Acta Cryst. B46, 54-62]. After 20 refinement cycles, R stood at 0.172. Nevertheless, serious errors involving both main-chain and side-chain atoms still remained, requiring numerous model rebuilding sessions interleaved with refinement cycles. After 63 cycles R = 0.124 for the model which includes all protein atoms, 249 water oxygen sites and five nitrate ions. Although the overall B is relatively low, 10.5 A2, B's for atoms in the region of residues 101-103, toward the termini of some of the longer side chains, and in the region of the C terminus of the main chain exceed 20 A2, indicating relatively high atomic mobilities, disorder, or remaining errors in the model.

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Organizational Affiliation: 

Neutron Physics Division, Bhabha Atomic Research Centre, Trombay, Bombay, India.