マシュー密度: 3.8 Å3/Da / 溶媒含有率: 70 % 解説: DATA WERE FILTERED LOCALLY WITH AN I/SIGMA(I) CUTOFF OF 1.0 - ELIMINATION OF UNRELIABLE MEASUREMENTS.
結晶化
温度: 291 K / 手法: 蒸気拡散法, ハンギングドロップ法 / pH: 8 詳細: COMPLEX WAS CRYSTALLIZED FROM 22.5% PEG 4000, 165 MM NACL, 35 MM SODIUM ACETATE, 3.2 MM DTT, 9.2% (VOL/VOL) GLYCEROL, 1.8 MM NAN3, 1.8 MM CADAVERINE-2HCL, 5.5 MM TRIS-HCL, PH 8.0, VAPOR ...詳細: COMPLEX WAS CRYSTALLIZED FROM 22.5% PEG 4000, 165 MM NACL, 35 MM SODIUM ACETATE, 3.2 MM DTT, 9.2% (VOL/VOL) GLYCEROL, 1.8 MM NAN3, 1.8 MM CADAVERINE-2HCL, 5.5 MM TRIS-HCL, PH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 291.00K
最高解像度: 3 Å / 最低解像度: 25 Å / % possible obs: 77.4 % / Num. measured all: 126746
-
解析
ソフトウェア
名称
バージョン
分類
CCP4
RAVEDM
モデル構築
X-PLOR
3.851
精密化
DENZO
データ削減
SCALEPACK
データスケーリング
CCP4
位相決定
RAVE
位相決定
直接法
位相決定
精密化
構造決定の手法: 多重同系置換 / 解像度: 3.1→8 Å / Rfactor Rfree error: 0.016 / Data cutoff high absF: 1000000 / Data cutoff low absF: 0 / Isotropic thermal model: RESTRAINED / 交差検証法: THROUGHOUT / σ(F): 2 詳細: ISOTROPIC B FACTORS WERE REFINED AGAINST UNSHARPENED NATIVE DATA WHICH HAS AN INHERENT B FACTOR OF 65.0, AND R-FACTORS WERE CALCULATED USING ANISOTROPICALLY SHARPENED DATA.
Rfactor
反射数
%反射
Selection details
Rfree
0.363
497
2.9 %
RANDOM
Rwork
0.308
-
-
-
obs
0.308
17014
81.4 %
-
原子変位パラメータ
Biso mean: 65 Å2
Baniso -1
Baniso -2
Baniso -3
1-
17.26 Å2
4.52 Å2
-0.72 Å2
2-
-
-5.82 Å2
1.02 Å2
3-
-
-
-11.4 Å2
Refine analyze
Free
Obs
Luzzati coordinate error
0.64 Å
0.55 Å
Luzzati d res low
-
8 Å
Luzzati sigma a
-
0.43 Å
精密化ステップ
サイクル: LAST / 解像度: 3.1→8 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
2953
2530
12
0
5495
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
X-RAY DIFFRACTION
x_bond_d
0.005
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
0.9
X-RAY DIFFRACTION
x_angle_deg_na
X-RAY DIFFRACTION
x_angle_deg_prot
X-RAY DIFFRACTION
x_dihedral_angle_d
22.9
X-RAY DIFFRACTION
x_dihedral_angle_d_na
X-RAY DIFFRACTION
x_dihedral_angle_d_prot
X-RAY DIFFRACTION
x_improper_angle_d
0.94
X-RAY DIFFRACTION
x_improper_angle_d_na
X-RAY DIFFRACTION
x_improper_angle_d_prot
X-RAY DIFFRACTION
x_mcbond_it
2.47
2
X-RAY DIFFRACTION
x_mcangle_it
4.45
4
X-RAY DIFFRACTION
x_scbond_it
2.49
2
X-RAY DIFFRACTION
x_scangle_it
4.48
4
Refine LS restraints NCS
NCS model details: NONE
Xplor file
Refine-ID
Serial no
Param file
Topol file
X-RAY DIFFRACTION
1
PROTEIN_REP.PARAM
TOPHCSDX.PRO
X-RAY DIFFRACTION
2
PARAM_NDBX.DNA
TOP_NBDX.DNA
X-RAY DIFFRACTION
3
PARAM19.ION
TOPH19.ION
ソフトウェア
*PLUS
名称: X-PLOR / バージョン: 3.851 / 分類: refinement
精密化
*PLUS
最高解像度: 3.1 Å / 最低解像度: 8 Å / σ(F): 2 / % reflection Rfree: 2.9 %