解像度: 2.3→30 Å / Cor.coef. Fo:Fc: 0.934 / Cor.coef. Fo:Fc free: 0.9 / SU B: 11.554 / SU ML: 0.125 / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R Free: 0.179 / 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. The programs buccaneer, arp/warp, coot and the ffas03 and molprobity servers were also used during refinement.
Rfactor
反射数
%反射
Selection details
Rfree
0.268
266
4.8 %
RANDOM
Rwork
0.235
-
-
-
obs
0.237
5533
99.5 %
-
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: 38.075 Å2
Baniso -1
Baniso -2
Baniso -3
1-
1.81 Å2
0 Å2
0 Å2
2-
-
1.81 Å2
0 Å2
3-
-
-
-3.62 Å2
精密化ステップ
サイクル: LAST / 解像度: 2.3→30 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
421
0
1
10
432
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
432
X-RAY DIFFRACTION
r_bond_other_d
0.002
0.02
280
X-RAY DIFFRACTION
r_angle_refined_deg
1.361
1.898
586
X-RAY DIFFRACTION
r_angle_other_deg
0.833
3
682
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
6.279
5
51
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
35.817
24.286
21
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
16.153
15
69
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
3.564
15
1
X-RAY DIFFRACTION
r_chiral_restr
0.108
0.2
65
X-RAY DIFFRACTION
r_gen_planes_refined
0.007
0.02
477
X-RAY DIFFRACTION
r_gen_planes_other
0.001
0.02
95
X-RAY DIFFRACTION
r_mcbond_it
0.699
1.5
258
X-RAY DIFFRACTION
r_mcbond_other
0.174
1.5
104
X-RAY DIFFRACTION
r_mcangle_it
1.38
2
419
X-RAY DIFFRACTION
r_scbond_it
2.507
3
174
X-RAY DIFFRACTION
r_scangle_it
4.208
4.5
167
LS精密化 シェル
解像度: 2.3→2.36 Å / Total num. of bins used: 20
Rfactor
反射数
%反射
Rfree
0.405
24
-
Rwork
0.319
339
-
all
-
363
-
obs
-
-
94.04 %
精密化 TLS
手法: refined / Origin x: -6.0029 Å / Origin y: 27.1772 Å / Origin z: 2.5316 Å