解像度: 1.94→50 Å / Num. obs: 104810 / % possible obs: 99.4 % / Observed criterion σ(I): -3
反射 シェル
解像度: 1.94→2.01 Å / % possible all: 94.2
-
解析
ソフトウェア
名称
バージョン
分類
REFMAC
5.1.9999
精密化
HKL-2000
データ削減
SCALEPACK
データスケーリング
SOLVE
位相決定
精密化
構造決定の手法: 多波長異常分散 / 解像度: 1.94→41.52 Å / Cor.coef. Fo:Fc: 0.955 / Cor.coef. Fo:Fc free: 0.93 / SU B: 3.264 / SU ML: 0.095 / 交差検証法: THROUGHOUT / ESU R: 0.143 / ESU R Free: 0.139 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD / 詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
反射数
%反射
Selection details
Rfree
0.2307
5267
5 %
RANDOM
Rwork
0.18766
-
-
-
obs
0.18981
99536
99.19 %
-
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: 26.245 Å2
Baniso -1
Baniso -2
Baniso -3
1-
0 Å2
0 Å2
0 Å2
2-
-
0 Å2
0 Å2
3-
-
-
0 Å2
精密化ステップ
サイクル: LAST / 解像度: 1.94→41.52 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
8526
0
0
684
9210
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
数
X-RAY DIFFRACTION
r_bond_refined_d
0.017
0.022
8706
X-RAY DIFFRACTION
r_bond_other_d
X-RAY DIFFRACTION
r_angle_refined_deg
1.546
1.976
11706
X-RAY DIFFRACTION
r_angle_other_deg
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
6.471
5
1029
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
35.346
24.307
411
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
15.731
15
1710
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
17.082
15
60
X-RAY DIFFRACTION
r_chiral_restr
0.12
0.2
1278
X-RAY DIFFRACTION
r_gen_planes_refined
0.007
0.02
6393
X-RAY DIFFRACTION
r_gen_planes_other
X-RAY DIFFRACTION
r_nbd_refined
0.208
0.2
4035
X-RAY DIFFRACTION
r_nbd_other
X-RAY DIFFRACTION
r_nbtor_refined
X-RAY DIFFRACTION
r_nbtor_other
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
0.184
0.2
710
X-RAY DIFFRACTION
r_xyhbond_nbd_other
X-RAY DIFFRACTION
r_metal_ion_refined
X-RAY DIFFRACTION
r_metal_ion_other
X-RAY DIFFRACTION
r_symmetry_vdw_refined
0.226
0.2
92
X-RAY DIFFRACTION
r_symmetry_vdw_other
X-RAY DIFFRACTION
r_symmetry_hbond_refined
0.273
0.2
49
X-RAY DIFFRACTION
r_symmetry_hbond_other
X-RAY DIFFRACTION
r_symmetry_metal_ion_refined
X-RAY DIFFRACTION
r_symmetry_metal_ion_other
X-RAY DIFFRACTION
r_mcbond_it
1.31
1.5
5392
X-RAY DIFFRACTION
r_mcbond_other
X-RAY DIFFRACTION
r_mcangle_it
1.735
2
8382
X-RAY DIFFRACTION
r_scbond_it
3.091
3
3859
X-RAY DIFFRACTION
r_scangle_it
4.678
4.5
3324
X-RAY DIFFRACTION
r_rigid_bond_restr
X-RAY DIFFRACTION
r_sphericity_free
X-RAY DIFFRACTION
r_sphericity_bonded
LS精密化 シェル
解像度: 1.942→1.993 Å / Total num. of bins used: 20 /