2CA6

MIRAS structure determination from hemihedrally twinned crystals

2CA6 の概要

• エントリーDOI: 10.2210/pdb2ca6/pdb
• 関連するPDBエントリー: 1K5D 1K5G 1YRG
• 分子名称: RAN GTPASE-ACTIVATING PROTEIN 1, SULFATE ION (3 entities in total)
• 機能のキーワード: gap, gtpase activation, gtpase-activating protein, hemihedral twinning, leucine-rich repeat protein, lrr, merohedral twinning, merohedry, rangap, rna1p, signaling protein, signaling activator, nuclear transport, signaling regulator
• 由来する生物種: SCHIZOSACCHAROMYCES POMBE (FISSION YEAST)
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 86929.56

構造登録者

Hillig, R.C.,Renault, L. (登録日: 2005-12-17, 公開日: 2006-01-11, 最終更新日: 2024-05-08)

主引用文献

Hillig, R.C.,Renault, L.
Detecting and Overcoming Hemihedral Twinning During the Mir Structure Determination of RNA1P.
Acta Crystallogr.,Sect.D, 62:750-, 2006

PubMed Abstract: The structure of Rna1p was originally solved to 2.7 A resolution by MIRAS from crystals with partial hemihedral twinning in space group I4(1) [Hillig et al. (1999), Mol. Cell, 3, 781-791] by finding a low-twinned native crystal (twin fraction alpha=0.06) and after twin correction of all data sets. Rna1p crystals have now been used to examine how far twinning and twin correction affect MIR phasing with a higher resolution but highly twinned native data set. Even high hemihedral twinning [alphanative=0.39, alphaderivative=0.24] would not have hindered heavy-atom site identification of strong derivatives using difference Patterson maps. However, a weaker derivative could have been missed and refinement would have stalled at high R values had twinning not been identified and accounted for. Twin correction improved both site identification, experimental phasing statistics and MIR map quality. Different strategies were tested for refinement against twinned data. Using uncorrected twinned data and TWIN-CNS, Rna1p has now been refined to 2.2 A resolution (final twinned R and Rfree were 0.165 and 0.218, respectively). The increased resolution enabled release of the NCS restraints and allowed new conclusions to be drawn on the flexibility of the two molecules in the asymmetric unit. In the case of Rna1p, twinned crystal growth was possible owing to the presence of a twofold NCS axis almost parallel to the twin operator.

PubMed: 16790931
DOI: 10.1107/S0907444906016222

実験手法

X-RAY DIFFRACTION (2.2 Å)