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: 1.54 Å / 相対比: 1
反射
解像度: 1.43→26.95 Å / Num. obs: 13802 / % possible obs: 99 % / 冗長度: 11.8 % / Biso Wilson estimate: 15.29 Å2 詳細: The data collection was done at the maximum crystal-to-detector distance of 72 mm. At this distance the resolution was 1.43 with an I/sigma = 24.4 indicating that the crystal could have ...詳細: The data collection was done at the maximum crystal-to-detector distance of 72 mm. At this distance the resolution was 1.43 with an I/sigma = 24.4 indicating that the crystal could have diffracted to a higher resolution. However, this was not possible with our MicroMax007 (Rigaku). Rmerge(I) obs: 0.058 / Net I/σ(I): 64.6
反射 シェル
解像度: 1.43→1.48 Å / 冗長度: 10.4 % / Rmerge(I) obs: 0.186 / Mean I/σ(I) obs: 24.4 / % possible all: 96.7
構造決定の手法: 単波長異常分散 / 解像度: 1.43→26.947 Å / SU ML: 0.09 / 交差検証法: FREE R-VALUE / σ(F): 0 / 位相誤差: 15.82 / 立体化学のターゲット値: MLHL 詳細: Data collection was done at the maximum crystal-to-detector distance of 72 mm. At this distance the resolution was 1.43 with an I/sigma = 24.4 indicating that the crystal could have ...詳細: Data collection was done at the maximum crystal-to-detector distance of 72 mm. At this distance the resolution was 1.43 with an I/sigma = 24.4 indicating that the crystal could have diffracted to a higher resolution. However, this was not possible with our MicroMax007 (Rigaku)
Rfactor
反射数
%反射
Selection details
Rfree
0.1664
-
9.88 %
Random selection
Rwork
0.1515
-
-
-
obs
0.1529
6719
100 %
-
溶媒の処理
減衰半径: 0.9 Å / VDWプローブ半径: 1.11 Å / 溶媒モデル: FLAT BULK SOLVENT MODEL
原子変位パラメータ
Biso mean: 20.9 Å2
精密化ステップ
サイクル: LAST / 解像度: 1.43→26.947 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
321
0
4
53
378
拘束条件
Refine-ID
タイプ
Dev ideal
数
X-RAY DIFFRACTION
f_bond_d
0.014
344
X-RAY DIFFRACTION
f_angle_d
1.457
467
X-RAY DIFFRACTION
f_dihedral_angle_d
16.9
129
X-RAY DIFFRACTION
f_chiral_restr
0.056
42
X-RAY DIFFRACTION
f_plane_restr
0.007
65
LS精密化 シェル
Refine-ID: X-RAY DIFFRACTION
解像度 (Å)
Rfactor Rfree
Num. reflection Rfree
Rfactor Rwork
Num. reflection Rwork
Rfactor Rfree error
% reflection obs (%)
1.434-1.544
0.156
143
0.14
1272
14.81
96.9
1.544-1.7
0.162
144
0.131
1323
15.88
97.9
1.7-1.946
0.161
146
0.133
1322
13.71
99.1
1.946-2.451
0.165
152
0.155
1371
19.53
99.8
2.451-26.952
0.1708
153
0.1604
1440
15.45
99.9
精密化 TLS
手法: refined / 詳細: Chain A / Origin x: 12.5351 Å / Origin y: 10.4764 Å / Origin z: 11.9358 Å