BIOMOLECULE: THIS ENTRY CONTAINS THE CRYSTALLOGRAPHIC ASYMMETRIC UNIT WHICH CONSISTS OF 1 CHAIN. ...BIOMOLECULE: THIS ENTRY CONTAINS THE CRYSTALLOGRAPHIC ASYMMETRIC UNIT WHICH CONSISTS OF 1 CHAIN. THE BIOLOGICAL UNIT IS UNKNOWN.
解像度: 2.201→29.361 Å / Cor.coef. Fo:Fc: 0.945 / Cor.coef. Fo:Fc free: 0.925 / SU B: 6.223 / SU ML: 0.159 / SU R Cruickshank DPI: 0.286 / 交差検証法: THROUGHOUT / ESU R: 0.286 / ESU R Free: 0.23 / 詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
反射数
%反射
Selection details
Rfree
0.2574
447
4.8 %
RANDOM
Rwork
0.1936
-
-
-
all
0.197
-
-
-
obs
0.19657
9313
99.903 %
-
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: 28.67 Å2
Baniso -1
Baniso -2
Baniso -3
1-
-0.024 Å2
-0.012 Å2
0 Å2
2-
-
-0.024 Å2
0 Å2
3-
-
-
0.036 Å2
精密化ステップ
サイクル: LAST / 解像度: 2.201→29.361 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
1370
0
0
35
1405
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
1417
X-RAY DIFFRACTION
r_bond_other_d
0.002
0.02
1298
X-RAY DIFFRACTION
r_angle_refined_deg
1.311
1.96
1928
X-RAY DIFFRACTION
r_angle_other_deg
0.795
3
3001
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
6.324
5
170
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
37.515
23.226
62
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
13.961
15
225
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
19.23
15
8
X-RAY DIFFRACTION
r_chiral_restr
0.079
0.2
205
X-RAY DIFFRACTION
r_gen_planes_refined
0.005
0.02
1557
X-RAY DIFFRACTION
r_gen_planes_other
0.001
0.02
300
X-RAY DIFFRACTION
r_nbd_refined
0.191
0.2
216
X-RAY DIFFRACTION
r_nbd_other
0.176
0.2
1233
X-RAY DIFFRACTION
r_nbtor_refined
0.184
0.2
677
X-RAY DIFFRACTION
r_nbtor_other
0.083
0.2
793
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
0.13
0.2
42
X-RAY DIFFRACTION
r_symmetry_vdw_refined
0.184
0.2
17
X-RAY DIFFRACTION
r_symmetry_vdw_other
0.24
0.2
75
X-RAY DIFFRACTION
r_symmetry_hbond_refined
0.149
0.2
7
X-RAY DIFFRACTION
r_mcbond_it
2.368
2
892
X-RAY DIFFRACTION
r_mcbond_other
0.575
2
340
X-RAY DIFFRACTION
r_mcangle_it
3.435
3
1394
X-RAY DIFFRACTION
r_mcangle_other
1.98
3
1172
X-RAY DIFFRACTION
r_scbond_it
2.142
2
624
X-RAY DIFFRACTION
r_scbond_other
0.735
2
1230
X-RAY DIFFRACTION
r_scangle_it
3.157
3
534
X-RAY DIFFRACTION
r_scangle_other
1.432
3
1829
LS精密化 シェル
Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 20