SHEET THE SHEET STRUCTURE OF THIS MOLECULE IS BIFURCATED. IN ORDER TO REPRESENT THIS FEATURE IN ... SHEET THE SHEET STRUCTURE OF THIS MOLECULE IS BIFURCATED. IN ORDER TO REPRESENT THIS FEATURE IN THE SHEET RECORDS BELOW, TWO SHEETS ARE DEFINED.
マシュー密度: 1.8 Å3/Da / 溶媒含有率: 30.6 % 解説: INITIAL MODEL WAS PRODUCED BY RIGID BODY REFINEMENT USING THE APO PROTEIN STRUCTURE PDB ENTRY 1OLR
結晶化
pH: 3.1 詳細: CRYSTALS GREW FROM A PROTEIN STOCK SOLUTION CONTAINING 1MG/ML PROTEIN IN 0.05 M BIS TRIS PROPANE AND 0.05 M AMMONIUM ACETATE, PH 8 CRYSTALS WERE CRYOPROTECTED IN UNBUFFERED 50% MME PEG 2000
プロトコル: SINGLE WAVELENGTH / 単色(M)・ラウエ(L): M / 散乱光タイプ: x-ray
放射波長
波長: 0.934 Å / 相対比: 1
反射
解像度: 1.491→47.14 Å / Num. obs: 34605 / % possible obs: 99.8 % / 冗長度: 9.1 % / Rmerge(I) obs: 0.12 / Net I/σ(I): 17.6
反射 シェル
解像度: 1.49→1.52 Å / Rmerge(I) obs: 0.377 / Mean I/σ(I) obs: 4.8 / % possible all: 99.6
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解析
ソフトウェア
名称
バージョン
分類
REFMAC
5.1.24
精密化
DENZO
データ削減
SCALEPACK
データスケーリング
精密化
構造決定の手法: OTHER / 解像度: 1.49→42.26 Å / Cor.coef. Fo:Fc: 0.968 / Cor.coef. Fo:Fc free: 0.967 / 交差検証法: THROUGHOUT / ESU R: 0.066 / ESU R Free: 0.061 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD 詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. THIS ENTRY CONTAINS ATOMS WITH OCCUPANCY OF 0.00 FOR WHICH THE B-FACTORS HAVE BEEN REFINED. THE FOLLOWING PROTEIN RESIDUES HAVE BEEN ...詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. THIS ENTRY CONTAINS ATOMS WITH OCCUPANCY OF 0.00 FOR WHICH THE B-FACTORS HAVE BEEN REFINED. THE FOLLOWING PROTEIN RESIDUES HAVE BEEN MODELLED IN MULTIPLE CONFORMATIONS: A49 A141 A167 A174 A224. THE FOLLOWING WATERS HAVE BEEN MODELLED IN MULTIPLE CONFORMATIONS:Z8 Z11 Z35 Z37 Z153 Z163 Z166 Z178 Z209 ATOMS WITH MISSING ELECTRON DENSITY ARE ASSIGNED ZERO OCCUPANCY. ATOMS ARE ASSIGNED REDUCED OCCUPANCIES WHEN ELECTRON DENSITY IS WEAK OR ATOMS HAVE PARTIAL OCCUPANCY
Rfactor
反射数
%反射
Selection details
Rfree
0.161
1089
3.2 %
RANDOM
Rwork
0.152
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obs
0.153
33442
100 %
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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: 1.4 Å / 溶媒モデル: BABINET MODEL WITH MASK