温度: 298 K / 手法: 蒸気拡散法 詳細: The best crystals were grown in condition containing 0.1 M sodium citrate tribasic dihydrate, pH 5.0, 10% (w/v) Polyethylene glycol 6000.
-
データ収集
回折
平均測定温度: 100 K / Ambient temp details: liquid nitrogen / Serial crystal experiment: N
解像度: 3.3→128.187 Å / Cor.coef. Fo:Fc: 0.935 / Cor.coef. Fo:Fc free: 0.93 / SU B: 94.993 / SU ML: 0.571 / 交差検証法: FREE R-VALUE / ESU R Free: 0.5 / 詳細: Hydrogens have been added in their riding positions
Rfactor
反射数
%反射
Rfree
0.2688
1939
4.735 %
Rwork
0.2377
-
-
all
0.239
-
-
obs
-
40954
96.292 %
溶媒の処理
イオンプローブ半径: 1 Å / 減衰半径: 1 Å / VDWプローブ半径: 1.1 Å
原子変位パラメータ
Biso mean: 144.159 Å2
Baniso -1
Baniso -2
Baniso -3
1-
-1.97 Å2
0 Å2
0 Å2
2-
-
-1.97 Å2
0 Å2
3-
-
-
3.94 Å2
精密化ステップ
サイクル: LAST / 解像度: 3.3→128.187 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
11686
0
28
0
11714
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
数
X-RAY DIFFRACTION
r_bond_refined_d
0.004
0.013
12028
X-RAY DIFFRACTION
r_bond_other_d
0.001
0.017
10650
X-RAY DIFFRACTION
r_angle_refined_deg
1.39
1.649
16366
X-RAY DIFFRACTION
r_angle_other_deg
1.126
1.574
24822
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
7.668
5
1504
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
33.684
22.796
558
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
17.533
15
1886
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
14.96
15
52
X-RAY DIFFRACTION
r_chiral_restr
0.049
0.2
1560
X-RAY DIFFRACTION
r_gen_planes_refined
0.004
0.02
13512
X-RAY DIFFRACTION
r_gen_planes_other
0.001
0.02
2568
X-RAY DIFFRACTION
r_nbd_refined
0.206
0.2
1894
X-RAY DIFFRACTION
r_symmetry_nbd_other
0.179
0.2
10037
X-RAY DIFFRACTION
r_nbtor_refined
0.169
0.2
5567
X-RAY DIFFRACTION
r_symmetry_nbtor_other
0.073
0.2
5591
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
0.164
0.2
237
X-RAY DIFFRACTION
r_symmetry_xyhbond_nbd_other
0.32
0.2
4
X-RAY DIFFRACTION
r_symmetry_nbd_refined
0.236
0.2
19
X-RAY DIFFRACTION
r_nbd_other
0.237
0.2
62
X-RAY DIFFRACTION
r_mcbond_it
1.678
9.809
6045
X-RAY DIFFRACTION
r_mcbond_other
1.679
9.808
6044
X-RAY DIFFRACTION
r_mcangle_it
2.879
14.712
7540
X-RAY DIFFRACTION
r_mcangle_other
2.879
14.713
7541
X-RAY DIFFRACTION
r_scbond_it
1.6
9.993
5982
X-RAY DIFFRACTION
r_scbond_other
1.6
9.994
5983
X-RAY DIFFRACTION
r_scangle_it
2.857
14.928
8826
X-RAY DIFFRACTION
r_scangle_other
2.857
14.929
8827
X-RAY DIFFRACTION
r_lrange_it
4.952
109.116
12487
X-RAY DIFFRACTION
r_lrange_other
4.951
109.116
12488
X-RAY DIFFRACTION
r_ncsr_local_group_1
0.046
0.05
6051
X-RAY DIFFRACTION
r_ncsr_local_group_2
0.063
0.05
6154
X-RAY DIFFRACTION
r_ncsr_local_group_3
0.042
0.05
6556
X-RAY DIFFRACTION
r_ncsr_local_group_4
0.014
0.05
3842
LS精密化 シェル
Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 20