解像度: 2.301→46.078 Å / Cor.coef. Fo:Fc: 0.907 / Cor.coef. Fo:Fc free: 0.886 / WRfactor Rfree: 0.254 / WRfactor Rwork: 0.221 / SU B: 5.821 / SU ML: 0.15 / SU R Cruickshank DPI: 0.299 / 交差検証法: THROUGHOUT / ESU R: 0.299 / ESU R Free: 0.223 詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. Other software used in refinement are arp, warp and molprobity.
Rfactor
反射数
%反射
Selection details
Rfree
0.2478
713
3.146 %
THIN SHELLS
Rwork
0.2145
-
-
-
all
0.216
-
-
-
obs
-
22665
96.624 %
-
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 BULK SOLVENT
原子変位パラメータ
Biso mean: 21.364 Å2
Baniso -1
Baniso -2
Baniso -3
1-
0.004 Å2
0 Å2
-0.003 Å2
2-
-
0.048 Å2
0 Å2
3-
-
-
-0.054 Å2
精密化ステップ
サイクル: LAST / 解像度: 2.301→46.078 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
3115
0
28
60
3203
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
数
X-RAY DIFFRACTION
r_bond_refined_d
0.014
0.022
3155
X-RAY DIFFRACTION
r_angle_refined_deg
1.434
1.984
4282
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
4.936
5
433
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
36.196
23.67
109
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
13.025
15
484
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
18.287
15
21
X-RAY DIFFRACTION
r_chiral_restr
0.075
0.2
527
X-RAY DIFFRACTION
r_gen_planes_refined
0.003
0.02
2322
X-RAY DIFFRACTION
r_nbd_refined
0.185
0.2
1245
X-RAY DIFFRACTION
r_nbtor_refined
0.282
0.2
2133
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
0.123
0.2
118
X-RAY DIFFRACTION
r_symmetry_vdw_refined
0.129
0.2
39
X-RAY DIFFRACTION
r_symmetry_hbond_refined
0.144
0.2
10
X-RAY DIFFRACTION
r_mcbond_it
1.93
2
2225
X-RAY DIFFRACTION
r_mcangle_it
2.938
3
3363
X-RAY DIFFRACTION
r_scbond_it
2.108
2
1059
X-RAY DIFFRACTION
r_scangle_it
3.099
3
919
LS精密化 シェル
Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 20