system development / cell development / non-canonical NF-kappaB signal transduction / canonical NF-kappaB signal transduction / response to cytokine / RNA polymerase II transcription regulatory region sequence-specific DNA binding / DNA-binding transcription factor activity / innate immune response / positive regulation of transcription by RNA polymerase II / nucleus / cytoplasm 類似検索 - 分子機能
タイプ: MAR scanner 345 mm plate / 検出器: IMAGE PLATE / 日付: 1997年10月16日 / 詳細: MIRRORS
放射
単色(M)・ラウエ(L): M / 散乱光タイプ: x-ray
放射波長
波長: 0.997 Å / 相対比: 1
反射
解像度: 2.7→20 Å / Num. obs: 8927 / % possible obs: 82.9 % / Observed criterion σ(I): 0 / 冗長度: 3.8 % / Biso Wilson estimate: 93.5 Å2 / Rsym value: 0.041 / Net I/σ(I): 18.9
反射 シェル
解像度: 2.7→2.8 Å / 冗長度: 2.8 % / Mean I/σ(I) obs: 2.7 / Rsym value: 0.286 / % possible all: 88.5
反射
*PLUS
Num. measured all: 33776 / Rmerge(I) obs: 0.041
反射 シェル
*PLUS
% possible obs: 88.5 % / Rmerge(I) obs: 0.286
-
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
X-PLOR
3.8
モデル構築
X-PLOR
3.8
精密化
X-PLOR
3.8
位相決定
精密化
構造決定の手法: 多重同系置換 / 解像度: 2.7→10 Å / Rfactor Rfree error: 0.014 / Isotropic thermal model: RESTRAINED / 交差検証法: THROUGHOUT / σ(F): 0 詳細: AT EARLY STAGES, PROGRAM REFMAC WAS USED. TO ACCOUNT FOR AVERAGED BASE PAIRS (D6-D10, E26-E30), TWO STRUCTURES CONTAINING DIFFERENT DNA STRANDS (CHAIN E AND D) WERE REFINED INDIVIDUALLY. AT A ...詳細: AT EARLY STAGES, PROGRAM REFMAC WAS USED. TO ACCOUNT FOR AVERAGED BASE PAIRS (D6-D10, E26-E30), TWO STRUCTURES CONTAINING DIFFERENT DNA STRANDS (CHAIN E AND D) WERE REFINED INDIVIDUALLY. AT A FINAL STAGE, BOTH DNA STRANDS WERE INCLUDED IN THE MODEL AND GIVEN HALF OCCUPANCY. CYS 126 AND CYS 131 ARE IN CLOSE PROXIMITY AND THE ELECTRON DENSITY WOULD ALSO ALLOW MODELING OF A DISULPHIDE BRIDGE. THIS MIGHT INDICATE PARTIAL OXIDATION. LOOP 81-84 IS BADLY ORDERED. DURING REFINEMENT, IT HAS BEEN GIVEN AN OCCUPANCY OF 0.5. LYS 222 IS THE LAST RESIDUE IN THE MODEL. THE QUALITY OF ITS ELECTRON DENSITY IS POOR AND DID NOT ALLOW UNAMBIGUOUS MODELING. THE C-TERMINAL DIMERIZATION DOMAIN OF THE REL HOMOLOGY REGION OF GAMBIF1 IS PRESENT IN THE USED CONSTRUCT AND THE CRYSTALS. HOWEVER, IT IS DISORDERED AND COULD NOT BE INCLUDED IN THE MODEL.
Rfactor
反射数
%反射
Selection details
Rfree
0.288
404
4.7 %
RANDOM
Rwork
0.219
-
-
-
obs
0.219
8575
84.1 %
-
原子変位パラメータ
Biso mean: 52.8 Å2
Baniso -1
Baniso -2
Baniso -3
1-
-3.84 Å2
-
-
2-
-
-3.84 Å2
-
3-
-
-
7.68 Å2
精密化ステップ
サイクル: LAST / 解像度: 2.7→10 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
1377
609
0
36
2022
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
X-RAY DIFFRACTION
x_bond_d
0.011
X-RAY DIFFRACTION
x_bond_d_na
X-RAY DIFFRACTION
x_bond_d_prot
X-RAY DIFFRACTION
x_angle_d
X-RAY DIFFRACTION
x_angle_d_na
X-RAY DIFFRACTION
x_angle_d_prot
X-RAY DIFFRACTION
x_angle_deg
1.7
X-RAY DIFFRACTION
x_angle_deg_na
X-RAY DIFFRACTION
x_angle_deg_prot
X-RAY DIFFRACTION
x_dihedral_angle_d
X-RAY DIFFRACTION
x_dihedral_angle_d_na
X-RAY DIFFRACTION
x_dihedral_angle_d_prot
X-RAY DIFFRACTION
x_improper_angle_d
X-RAY DIFFRACTION
x_improper_angle_d_na
X-RAY DIFFRACTION
x_improper_angle_d_prot
X-RAY DIFFRACTION
x_mcbond_it
3.6
2.5
X-RAY DIFFRACTION
x_mcangle_it
5.6
2.5
X-RAY DIFFRACTION
x_scbond_it
6.4
3.5
X-RAY DIFFRACTION
x_scangle_it
8.7
3.5
LS精密化 シェル
解像度: 2.7→2.82 Å / Rfactor Rfree error: 0.06 / Total num. of bins used: 8