BIOMOLECULE: 1 THIS ENTRY CONTAINS THE CRYSTALLOGRAPHIC ASYMMETRIC UNIT WHICH CONSISTS OF 1 CHAIN. ... BIOMOLECULE: 1 THIS ENTRY CONTAINS THE CRYSTALLOGRAPHIC ASYMMETRIC UNIT WHICH CONSISTS OF 1 CHAIN. AUTHORS STATE THAT THE BIOLOGICAL UNIT OF THIS PROTEIN IS UNKNOWN.
解像度: 1.48→30 Å / Cor.coef. Fo:Fc: 0.955 / Cor.coef. Fo:Fc free: 0.949 / WRfactor Rfree: 0.193 / WRfactor Rwork: 0.18 / SU B: 0.992 / SU ML: 0.039 / 交差検証法: FREE-R / ESU R: 0.068 / ESU R Free: 0.066 / 立体化学のターゲット値: Engh & Huber 詳細: 1. HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. 2. arp/warp, molprobity, coot programs were also used in the refinement. 3. Residue UNL is a molecule of unknown nature that has been ...詳細: 1. HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. 2. arp/warp, molprobity, coot programs were also used in the refinement. 3. Residue UNL is a molecule of unknown nature that has been modeled in density resembling an aromatic 6-membered ring.
Rfactor
反射数
%反射
Selection details
Rfree
0.1948
1239
5.061 %
random
Rwork
0.1797
-
-
-
all
0.18
-
-
-
obs
-
24481
99.825 %
-
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 BULK SOLVENT
原子変位パラメータ
Biso mean: 12.863 Å2
Baniso -1
Baniso -2
Baniso -3
1-
0.172 Å2
0 Å2
0 Å2
2-
-
0.172 Å2
0 Å2
3-
-
-
-0.344 Å2
精密化ステップ
サイクル: LAST / 解像度: 1.48→30 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
1056
0
33
75
1164
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
1120
X-RAY DIFFRACTION
r_bond_other_d
0.002
0.02
796
X-RAY DIFFRACTION
r_angle_refined_deg
1.459
1.968
1512
X-RAY DIFFRACTION
r_angle_other_deg
0.922
3
1937
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
5.842
5
138
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
31.201
23.725
51
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
10.657
15
200
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
17.554
15
8
X-RAY DIFFRACTION
r_chiral_restr
0.095
0.2
158
X-RAY DIFFRACTION
r_gen_planes_refined
0.007
0.02
1225
X-RAY DIFFRACTION
r_gen_planes_other
0.001
0.02
229
X-RAY DIFFRACTION
r_nbd_refined
0.212
0.2
201
X-RAY DIFFRACTION
r_nbd_other
0.201
0.2
821
X-RAY DIFFRACTION
r_nbtor_refined
0.179
0.2
557
X-RAY DIFFRACTION
r_nbtor_other
0.085
0.2
548
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
0.113
0.2
49
X-RAY DIFFRACTION
r_symmetry_vdw_refined
0.133
0.2
10
X-RAY DIFFRACTION
r_symmetry_vdw_other
0.251
0.2
60
X-RAY DIFFRACTION
r_symmetry_hbond_refined
0.093
0.2
6
X-RAY DIFFRACTION
r_mcbond_it
2.268
2
727
X-RAY DIFFRACTION
r_mcbond_other
0.495
2
267
X-RAY DIFFRACTION
r_mcangle_it
2.683
3
1094
X-RAY DIFFRACTION
r_scbond_it
2.835
2
488
X-RAY DIFFRACTION
r_scangle_it
4.116
3
415
LS精密化 シェル
Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 20