冗長度: 5.58 % / Av σ(I) over netI: 10.8 / 数: 596801 / Rmerge(I) obs: 0.095 / Χ2: 1.51 / D res high: 1.09 Å / D res low: 47.1 Å / Num. obs: 106384 / % possible obs: 76.7
構造決定の手法: 多波長異常分散 / 解像度: 1.35→38.95 Å / Cor.coef. Fo:Fc: 0.971 / Cor.coef. Fo:Fc free: 0.957 / WRfactor Rfree: 0.196 / WRfactor Rwork: 0.159 / SU B: 1.766 / SU ML: 0.033 / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R: 0.058 / ESU R Free: 0.056 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD 詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. FRIEDEL PAIRS WERE AVERAGED FOR REFINEMENT. RESIDUES 346-359, 428 (SIDE CHAIN), 429, 430 HAVE NO INTERPRETABLE ELECTRON DENSITY. COORDINATES ...詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. FRIEDEL PAIRS WERE AVERAGED FOR REFINEMENT. RESIDUES 346-359, 428 (SIDE CHAIN), 429, 430 HAVE NO INTERPRETABLE ELECTRON DENSITY. COORDINATES REPRESENT A HYPOTHETICAL MODEL.
Rfactor
反射数
%反射
Selection details
Rfree
0.194
7201
9.8 %
RANDOM
Rwork
0.157
-
-
-
obs
0.16
73215
99.39 %
-
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: 1.2 Å / 溶媒モデル: MASK
原子変位パラメータ
Biso mean: 14.197 Å2
Baniso -1
Baniso -2
Baniso -3
1-
0 Å2
0 Å2
0.01 Å2
2-
-
-0.02 Å2
0 Å2
3-
-
-
0.02 Å2
精密化ステップ
サイクル: LAST / 解像度: 1.35→38.95 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
2433
0
9
353
2795
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
数
X-RAY DIFFRACTION
r_bond_refined_d
0.015
0.022
2503
X-RAY DIFFRACTION
r_bond_other_d
0.001
0.02
1609
X-RAY DIFFRACTION
r_angle_refined_deg
1.563
1.958
3421
X-RAY DIFFRACTION
r_angle_other_deg
1.636
3
3960
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
5.31
5
326
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
36.779
26.05
119
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
11.622
15
400
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
14.455
15
10
X-RAY DIFFRACTION
r_chiral_restr
0.007
0.02
386
X-RAY DIFFRACTION
r_gen_planes_refined
0.007
0.02
2866
X-RAY DIFFRACTION
r_gen_planes_other
0.002
0.02
468
X-RAY DIFFRACTION
r_mcbond_it
1.616
1.5
1590
X-RAY DIFFRACTION
r_mcbond_other
0.898
1.5
645
X-RAY DIFFRACTION
r_mcangle_it
2.456
2
2564
X-RAY DIFFRACTION
r_scbond_it
3.53
3
913
X-RAY DIFFRACTION
r_scangle_it
5.018
4.5
853
X-RAY DIFFRACTION
r_rigid_bond_restr
1.598
3
4112
X-RAY DIFFRACTION
r_sphericity_free
7.731
3
354
X-RAY DIFFRACTION
r_sphericity_bonded
5.238
3
4061
LS精密化 シェル
Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 20