解像度: 2→2.07 Å / Mean I/σ(I) obs: 5.5 / Rsym value: 0.196 / % possible all: 98.7
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解析
ソフトウェア
名称
バージョン
分類
CNS
1.1
精密化
DENZO
データ削減
SCALEPACK
データスケーリング
MLPHARE
位相決定
精密化
構造決定の手法: 単一同系置換・異常分散, 分子置換 開始モデル: Arp/Warp autobuilt model using phases from two Ta6Br12 clusters and a poor molecular replacement solution. MR was carried out using a model derived from PDB entry 1HD8, which is a ...開始モデル: Arp/Warp autobuilt model using phases from two Ta6Br12 clusters and a poor molecular replacement solution. MR was carried out using a model derived from PDB entry 1HD8, which is a mutant of PBP5, sharing ~26% identity with PBP4 over a 245 residue range. Phase combination with MR solution was necessary, as Ta6Br12 clusters occupied positions on the symmetry planes resulting in centrosymmetric phases and hence uninterpretable maps.
解像度: 2→23.68 Å / Rfactor Rfree error: 0.003 / Data cutoff high absF: 425919.56 / Data cutoff low absF: 0 / Isotropic thermal model: RESTRAINED / 交差検証法: THROUGHOUT / σ(F): 0 / 立体化学のターゲット値: Engh & Huber 詳細: Unidentified electron density is observed near the active site.