解像度: 2→41.553 Å / Cor.coef. Fo:Fc: 0.945 / Cor.coef. Fo:Fc free: 0.926 / SU B: 8.579 / SU ML: 0.107 / 交差検証法: THROUGHOUT / ESU R: 0.181 / ESU R Free: 0.163 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD 詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS U VALUES : WITH TLS ADDED
Rfactor
反射数
%反射
Selection details
Rfree
0.2373
1274
4.9 %
RANDOM
Rwork
0.19491
-
-
-
obs
0.19699
24647
100 %
-
all
-
26101
-
-
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: 1.4 Å / 溶媒モデル: MASK
原子変位パラメータ
Biso mean: 24.828 Å2
Baniso -1
Baniso -2
Baniso -3
1-
-0.62 Å2
0 Å2
0 Å2
2-
-
1.24 Å2
0 Å2
3-
-
-
-0.63 Å2
精密化ステップ
サイクル: LAST / 解像度: 2→41.553 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
2622
0
0
166
2788
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
数
X-RAY DIFFRACTION
r_bond_refined_d
0.009
0.022
2705
X-RAY DIFFRACTION
r_bond_other_d
X-RAY DIFFRACTION
r_angle_refined_deg
1.081
1.977
3654
X-RAY DIFFRACTION
r_angle_other_deg
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
5.484
5
329
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
35.768
23.04
125
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
13.92
15
488
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
14.296
15
20
X-RAY DIFFRACTION
r_chiral_restr
0.072
0.2
397
X-RAY DIFFRACTION
r_gen_planes_refined
0.005
0.021
2038
X-RAY DIFFRACTION
r_gen_planes_other
X-RAY DIFFRACTION
r_nbd_refined
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
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
X-RAY DIFFRACTION
r_symmetry_vdw_other
X-RAY DIFFRACTION
r_symmetry_hbond_refined
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
0.577
1.5
1622
X-RAY DIFFRACTION
r_mcbond_other
X-RAY DIFFRACTION
r_mcangle_it
1.132
2
2624
X-RAY DIFFRACTION
r_scbond_it
1.812
3
1083
X-RAY DIFFRACTION
r_scangle_it
3.134
4.5
1026
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: 2→2.052 Å / Total num. of bins used: 20
Rfactor
反射数
%反射
Rfree
0.316
91
-
Rwork
0.287
1740
-
obs
-
-
100 %
精密化 TLS
手法: refined / Origin x: -13.2561 Å / Origin y: 2.5394 Å / Origin z: -10.7274 Å