BIOMOLECULE: 1, 2 THIS ENTRY CONTAINS THE CRYSTALLOGRAPHIC ASYMMETRIC UNIT WHICH CONSISTS OF 3 ...BIOMOLECULE: 1, 2 THIS ENTRY CONTAINS THE CRYSTALLOGRAPHIC ASYMMETRIC UNIT WHICH CONSISTS OF 3 CHAIN(S). SEE REMARK 350 FOR INFORMATION ON GENERATING THE BIOLOGICAL MOLECULE(S). THE AUTHORS STATE THAT SIZE EXCLUSION CHROMATOGRAPHY (SEC) AND STATIC LIGHT SCATTERING SUPPORT THE ASSIGNMENT OF THE BIOLOGICAL OLIGOMERIZATION STATE AS A DIMER.
BIOMOLECULE: 1,2 THIS ENTRY CONTAINS THE CRYSTALLOGRAPHIC ASYMMETRIC UNIT WHICH CONSISTS OF 3 CHAIN(S). SEE FOR INFORMATION ON GENERATING THE BIOLOGICAL MOLECULE(S). SIZE EXCLUSION CHROMATOGRAPHY (SEC) AND STATIC LIGHT SCATTERING SUPPORT THE ASSIGNMENT OF THE BIOLOGICAL OLIGOMERIZATION STATE AS A DIMER. GENERATING THE BIOMOLECULE COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. BIOMOLECULE: 1 APPLY THE FOLLOWING TO CHAINS: A BIOMT1 1 1.000000 0.000000 0.000000 0.00000 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 BIOMT1 2 1.000000 0.000000 0.000000 0.00000 BIOMT2 2 0.000000 -1.000000 0.000000 69.1930 BIOMT3 2 0.000000 0.000000 -1.000000 453.518 BIOMOLECULE: 2 APPLY THE FOLLOWING TO CHAINS: B, C BIOMT1 1 1.000000 0.000000 0.000000 0.00000 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 BIOMT3 1 0.000000 0.000000 1.000000 0.00000
解像度: 2.49→50 Å / Num. obs: 22838 / % possible obs: 85.39 % / 冗長度: 4.5 % / Biso Wilson estimate: 50.62 Å2 / Rsym value: 0.048 / Net I/σ(I): 24.38
反射 シェル
解像度: 2.49→2.53 Å / 冗長度: 1.34 % / Mean I/σ(I) obs: 3.19 / Num. unique all: 377 / Rsym value: 0.153 / % possible all: 29.22
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解析
ソフトウェア
名称
バージョン
分類
DENZO
データ削減
SCALEPACK
データスケーリング
SHELXD
位相決定
autoSHARP
位相決定
REFMAC
5.2.0005
精密化
精密化
構造決定の手法: 多波長異常分散 / 解像度: 2.49→38.7 Å / Cor.coef. Fo:Fc: 0.947 / Cor.coef. Fo:Fc free: 0.924 / SU B: 19.135 / SU ML: 0.206 / TLS residual ADP flag: LIKELY RESIDUAL / 交差検証法: THROUGHOUT / ESU R Free: 0.312 立体化学のターゲット値: MAXIMUM LIKELIHOOD WITH PHASES 詳細: (1) HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. (2) ATOM RECORD CONTAINS RESIDUAL B FACTORS ONLY. (3) THE NOMINAL RESOLUTION OF THE DATA IS 2.6 A, WITH 1,104 OBSERVED REFLECTIONS ...詳細: (1) HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. (2) ATOM RECORD CONTAINS RESIDUAL B FACTORS ONLY. (3) THE NOMINAL RESOLUTION OF THE DATA IS 2.6 A, WITH 1,104 OBSERVED REFLECTIONS BETWEEN 2.6-2.49 A (34% COMPLETE FOR THIS SHELL) INCLUDED IN THE REFINEMENT.
Rfactor
反射数
%反射
Selection details
Rfree
0.22938
1159
5.1 %
RANDOM
Rwork
0.18994
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-
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obs
0.19201
21601
85.47 %
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溶媒の処理
イオンプローブ半径: 0.8 Å / 減衰半径: 0.8 Å / VDWプローブ半径: 1.2 Å / 溶媒モデル: MASK