解像度: 3.77→41.45 Å / Cor.coef. Fo:Fc: 0.918 / Cor.coef. Fo:Fc free: 0.917 / Occupancy max: 1 / Occupancy min: 0 / SU B: 185.426 / SU ML: 1.146 / SU R Cruickshank DPI: 0.8821 / 交差検証法: THROUGHOUT / ESU R Free: 0.92 / 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
0.29165
540
4.7 %
RANDOM
Rwork
0.27731
-
-
-
obs
0.27805
10936
99.07 %
-
all
-
11584
-
-
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: 144.853 Å2
Baniso -1
Baniso -2
Baniso -3
1-
-0.04 Å2
0 Å2
-0.08 Å2
2-
-
0.05 Å2
0 Å2
3-
-
-
-0.09 Å2
精密化ステップ
サイクル: LAST / 解像度: 3.77→41.45 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
7362
0
24
0
7386
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
数
X-RAY DIFFRACTION
r_bond_refined_d
0.009
0.021
7502
X-RAY DIFFRACTION
r_bond_other_d
X-RAY DIFFRACTION
r_angle_refined_deg
1.17
1.949
10222
X-RAY DIFFRACTION
r_angle_other_deg
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
5.279
5
963
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
36.424
24.969
326
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
21.312
15
1126
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
19.528
15
31
X-RAY DIFFRACTION
r_chiral_restr
0.074
0.2
1196
X-RAY DIFFRACTION
r_gen_planes_refined
0.006
0.021
5679
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
X-RAY DIFFRACTION
r_mcbond_other
X-RAY DIFFRACTION
r_mcangle_it
X-RAY DIFFRACTION
r_scbond_it
X-RAY DIFFRACTION
r_scangle_it
X-RAY DIFFRACTION
r_rigid_bond_restr
X-RAY DIFFRACTION
r_sphericity_free
X-RAY DIFFRACTION
r_sphericity_bonded
Refine LS restraints NCS
数: 3452 / タイプ: medium positional / Rms dev position: 0.68 Å / Weight position: 0.5