解像度: 1.82→22.71 Å / Cor.coef. Fo:Fc: 0.953 / Cor.coef. Fo:Fc free: 0.937 / WRfactor Rfree: 0.235 / WRfactor Rwork: 0.178 / SU B: 3.159 / SU ML: 0.1 / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R: 0.153 / ESU R Free: 0.151 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD 詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. Programs ARP/wARP, Molprobity, Coot have also been used in refinement.
Rfactor
反射数
%反射
Selection details
Rfree
0.249
679
4.9 %
RANDOM
Rwork
0.19
-
-
-
obs
0.192
13840
99.81 %
-
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: 20.115 Å2
Baniso -1
Baniso -2
Baniso -3
1-
-1.33 Å2
0 Å2
0 Å2
2-
-
1.97 Å2
0 Å2
3-
-
-
-0.64 Å2
精密化ステップ
サイクル: LAST / 解像度: 1.82→22.71 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
1309
0
38
70
1417
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
数
X-RAY DIFFRACTION
r_bond_refined_d
0.016
0.021
1369
X-RAY DIFFRACTION
r_bond_other_d
0.002
0.02
938
X-RAY DIFFRACTION
r_angle_refined_deg
1.437
1.982
1852
X-RAY DIFFRACTION
r_angle_other_deg
0.922
3
2260
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
5.693
5
168
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
32.629
22.381
63
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
11.281
15
226
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
19.485
15
15
X-RAY DIFFRACTION
r_chiral_restr
0.084
0.2
206
X-RAY DIFFRACTION
r_gen_planes_refined
0.005
0.02
1516
X-RAY DIFFRACTION
r_gen_planes_other
0.001
0.02
293
X-RAY DIFFRACTION
r_nbd_refined
0.194
0.2
258
X-RAY DIFFRACTION
r_nbd_other
0.203
0.2
960
X-RAY DIFFRACTION
r_nbtor_refined
0.167
0.2
646
X-RAY DIFFRACTION
r_nbtor_other
0.083
0.2
693
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
0.128
0.2
66
X-RAY DIFFRACTION
r_xyhbond_nbd_other
0.107
0.2
1
X-RAY DIFFRACTION
r_metal_ion_refined
0.052
0.2
1
X-RAY DIFFRACTION
r_symmetry_vdw_refined
0.072
0.2
10
X-RAY DIFFRACTION
r_symmetry_vdw_other
0.266
0.2
37
X-RAY DIFFRACTION
r_symmetry_hbond_refined
0.154
0.2
7
X-RAY DIFFRACTION
r_mcbond_it
2.656
2
923
X-RAY DIFFRACTION
r_mcbond_other
0.76
2
349
X-RAY DIFFRACTION
r_mcangle_it
3.214
3
1331
X-RAY DIFFRACTION
r_scbond_it
2.623
2
585
X-RAY DIFFRACTION
r_scangle_it
3.574
3
521
LS精密化 シェル
Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 20