BIOMOLECULE: 1, 2 THIS ENTRY CONTAINS THE CRYSTALLOGRAPHIC ASYMMETRIC UNIT WHICH CONSISTS OF 2 ... BIOMOLECULE: 1, 2 THIS ENTRY CONTAINS THE CRYSTALLOGRAPHIC ASYMMETRIC UNIT WHICH CONSISTS OF 2 CHAIN(S). AUTHORS STATE THAT THE BIOLOGICAL UNIT OF THIS PROTEIN IS UNKNOWN.
解像度: 1.9→20 Å / Cor.coef. Fo:Fc: 0.952 / Cor.coef. Fo:Fc free: 0.928 / WRfactor Rfree: 0.238 / WRfactor Rwork: 0.185 / SU B: 3.872 / SU ML: 0.117 / 交差検証法: FREE R / ESU R: 0.195 / ESU R Free: 0.174 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD 詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. Arp/warp, molprobity, coot have also been used in structure solution and refinement
Rfactor
反射数
%反射
Selection details
Rfree
0.2457
998
5.995 %
thin shells
Rwork
0.1915
-
-
-
obs
0.195
16648
94.334 %
-
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: 20.834 Å2
Baniso -1
Baniso -2
Baniso -3
1-
0.336 Å2
-0.612 Å2
0.204 Å2
2-
-
0.198 Å2
-0.296 Å2
3-
-
-
-0.722 Å2
精密化ステップ
サイクル: LAST / 解像度: 1.9→20 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
1941
0
11
65
2017
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
数
X-RAY DIFFRACTION
r_bond_refined_d
0.017
0.022
1998
X-RAY DIFFRACTION
r_bond_other_d
0.002
0.02
1386
X-RAY DIFFRACTION
r_angle_refined_deg
1.358
1.942
2693
X-RAY DIFFRACTION
r_angle_other_deg
0.956
3.006
3347
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
6.342
5
245
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
32.238
24.314
102
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
12.665
15
349
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
16.666
15
15
X-RAY DIFFRACTION
r_chiral_restr
0.085
0.2
281
X-RAY DIFFRACTION
r_gen_planes_refined
0.005
0.02
2237
X-RAY DIFFRACTION
r_gen_planes_other
0.001
0.02
412
X-RAY DIFFRACTION
r_nbd_refined
0.198
0.2
381
X-RAY DIFFRACTION
r_nbd_other
0.189
0.2
1482
X-RAY DIFFRACTION
r_nbtor_refined
0.172
0.2
958
X-RAY DIFFRACTION
r_nbtor_other
0.084
0.2
979
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
0.137
0.2
75
X-RAY DIFFRACTION
r_symmetry_vdw_refined
0.131
0.2
7
X-RAY DIFFRACTION
r_symmetry_vdw_other
0.208
0.2
39
X-RAY DIFFRACTION
r_symmetry_hbond_refined
0.098
0.2
5
X-RAY DIFFRACTION
r_mcbond_it
2.717
2
1359
X-RAY DIFFRACTION
r_mcbond_other
0.797
2
491
X-RAY DIFFRACTION
r_mcangle_it
3.206
3
1933
X-RAY DIFFRACTION
r_scbond_it
2.471
2
885
X-RAY DIFFRACTION
r_scangle_it
3.527
3
757
LS精密化 シェル
Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 20