解像度: 2.8→20 Å / Cor.coef. Fo:Fc: 0.928 / Cor.coef. Fo:Fc free: 0.884 / SU B: 33.561 / SU ML: 0.307 / TLS residual ADP flag: LIKELY RESIDUAL / 交差検証法: THROUGHOUT / ESU R Free: 0.394 / 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
0.25614
912
5 %
RANDOM
Rwork
0.20237
-
-
-
obs
0.20502
17318
100 %
-
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: 25.535 Å2
Baniso -1
Baniso -2
Baniso -3
1-
-2.81 Å2
0 Å2
-1.36 Å2
2-
-
5.42 Å2
0 Å2
3-
-
-
-2.97 Å2
精密化ステップ
サイクル: LAST / 解像度: 2.8→20 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
5043
0
4
4
5051
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
数
X-RAY DIFFRACTION
r_bond_refined_d
0.016
0.022
5139
X-RAY DIFFRACTION
r_bond_other_d
0.018
0.02
3458
X-RAY DIFFRACTION
r_angle_refined_deg
1.419
1.955
6948
X-RAY DIFFRACTION
r_angle_other_deg
1.062
3
8461
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
5.762
5
639
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
34.953
25.062
243
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
17.741
15
910
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
9.05
15
28
X-RAY DIFFRACTION
r_chiral_restr
0.087
0.2
763
X-RAY DIFFRACTION
r_gen_planes_refined
0.004
0.02
5729
X-RAY DIFFRACTION
r_gen_planes_other
0.001
0.02
983
X-RAY DIFFRACTION
r_nbd_refined
0.22
0.2
1137
X-RAY DIFFRACTION
r_nbd_other
0.181
0.2
3423
X-RAY DIFFRACTION
r_nbtor_refined
0.182
0.2
2444
X-RAY DIFFRACTION
r_nbtor_other
0.09
0.2
2701
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
0.138
0.2
70
X-RAY DIFFRACTION
r_metal_ion_refined
0.061
0.2
1
X-RAY DIFFRACTION
r_symmetry_vdw_refined
0.197
0.2
7
X-RAY DIFFRACTION
r_symmetry_vdw_other
0.194
0.2
22
X-RAY DIFFRACTION
r_mcbond_it
0.675
1.5
4123
X-RAY DIFFRACTION
r_mcbond_other
0.11
1.5
1294
X-RAY DIFFRACTION
r_mcangle_it
0.665
2
5160
X-RAY DIFFRACTION
r_scbond_it
1.219
3
2258
X-RAY DIFFRACTION
r_scangle_it
1.684
4.5
1788
Refine LS restraints NCS
Ens-ID: 1 / Refine-ID: X-RAY DIFFRACTION
Dom-ID
Auth asym-ID
数
タイプ
Rms dev position (Å)
Weight position
1
A
942
mediumpositional
0.11
0.5
2
B
942
mediumpositional
0.12
0
3
C
942
mediumpositional
0.12
0
4
D
942
mediumpositional
0.12
0
1
A
1172
loosepositional
0.3
5
2
B
1172
loosepositional
0.3
0
3
C
1172
loosepositional
0.3
0
4
D
1172
loosepositional
0.3
0
1
A
942
mediumthermal
0.42
2
2
B
942
mediumthermal
0.34
0
3
C
942
mediumthermal
0.39
0
4
D
942
mediumthermal
0.39
0
1
A
1172
loosethermal
0.6
10
2
B
1172
loosethermal
0.52
0.01
3
C
1172
loosethermal
0.51
0
4
D
1172
loosethermal
0.5
0
LS精密化 シェル
解像度: 2.8→2.871 Å / Rfactor Rfree error: 0.394 / Total num. of bins used: 20