解像度: 1.78→1.86 Å / % possible obs: 43.4 % / Rmerge(I) obs: 0.332 / Num. unique all: 4023
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解析
ソフトウェア
名称
バージョン
分類
CrystalClear
1.3
データ収集
CrystalClear
1.3
データ削減
X-PLOR
3.851
精密化
CrystalClear
(MSC/RIGAKU)
データスケーリング
Quanta
モデル構築
精密化
構造決定の手法: フーリエ合成 / 解像度: 1.78→7 Å / 交差検証法: THROUGHOUT / σ(F): 0.37 / 立体化学のターゲット値: X-PLOR force field 詳細: The first four residues of the light chain are not visible and are not included in the model. The loop comprising the sequence "RDPNSEE" between Phe_H97 and Asn_H99 is not visible and is not ...詳細: The first four residues of the light chain are not visible and are not included in the model. The loop comprising the sequence "RDPNSEE" between Phe_H97 and Asn_H99 is not visible and is not included in the model. Residues simultaneously refined in two or more conformations are: Ser_L36, Val_L75, Arg_L79, Lys_L112, Leu_H41, Leu_H46, Gln_H73, Ser_H109, Lys_H179, Pro_H185, Thr_H208, Ser_H246. Discretely disordered waters are HOH_212 and HOH_323. His_H40, HIS_H57, and His_H107 are doubly protonated. HIS_H91 is monoprotonated on the epsilon nitrogen No energy terms are included Og_Ser_H195, HOH_383, and O6' and HN3 of the inhibitor. These atoms form a short hydrogen-bonding network.