BIOMOLECULE THIS ENTRY CONTAINS THE CRYSTALLOGRAPHIC ASYMMETRIC UNIT WHICH CONSISTS OF 2 CHAIN(S). ...BIOMOLECULE THIS ENTRY CONTAINS THE CRYSTALLOGRAPHIC ASYMMETRIC UNIT WHICH CONSISTS OF 2 CHAIN(S). The second strand of the DNA molecule is generated by applying symmetry operator 7_556 : y, x, 1-z, to D1P and bases 8-12, and applying symmetry operator 7_557 : y, x, 2-z, to bases 1-6.
One asymmetric unit consists of a single protein molecule and 1 strand of DNA. The second strand is generated by x,y,-z (translation 0,0,1) applied to APR,THY,CYT,GUA, CYT,GUA and x,y,-z (translation 0,0,2) applied to the remaining nucleic acids.
解像度: 2.35→2.55 Å / 冗長度: 4.5 % / Rmerge(I) obs: 0.2 / Rsym value: 0.2 / % possible all: 95.2
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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
AMoRE
位相決定
X-PLOR
3.851
精密化
精密化
構造決定の手法: 分子置換 開始モデル: Native MUG 解像度: 2.35→14.93 Å / Rfactor Rfree error: 0.015 / Data cutoff high absF: 1604690.93 / 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: NO ELECTRON DENSITY IS OBSERVED FOR RESDUES 166 TO 168. RESIDUES A1, A109, A150 AND A151 WERE REFINED AS ALANINE. D1P CORRESPONDS TO AN ABASIC SITE
Rfactor
反射数
%反射
Selection details
Rfree
0.28
477
4.8 %
RANDOM
Rwork
0.21
-
-
-
all
0.2482
10144
-
-
obs
0.2482
9878
99.2 %
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原子変位パラメータ
Biso mean: 23.4 Å2
Baniso -1
Baniso -2
Baniso -3
1-
0 Å2
0 Å2
0 Å2
2-
-
0 Å2
0 Å2
3-
-
-
0 Å2
Refine analyze
Luzzati coordinate error obs: 0.3 Å / Luzzati d res low obs: 5 Å / Luzzati sigma a obs: 0.37 Å
精密化ステップ
サイクル: LAST / 解像度: 2.35→14.93 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
1271
236
0
122
1629
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
X-RAY DIFFRACTION
x_bond_d
0.007
X-RAY DIFFRACTION
x_angle_deg
1.1
X-RAY DIFFRACTION
x_dihedral_angle_d
26.5
X-RAY DIFFRACTION
x_improper_angle_d
1.19
X-RAY DIFFRACTION
x_mcbond_it
1.62
1.5
X-RAY DIFFRACTION
x_mcangle_it
2.53
2
X-RAY DIFFRACTION
x_scbond_it
3.5
2
X-RAY DIFFRACTION
x_scangle_it
4.8
2.5
LS精密化 シェル
解像度: 2.35→2.5 Å / Rfactor Rfree error: 0.042 / Total num. of bins used: 8