BIOMOLECULE THIS ENTRY CONTAINS THE CRYSTALLOGRAPHIC ASYMMETRIC UNIT WHICH CONSISTS OF 8 CHAIN(S). ...BIOMOLECULE THIS ENTRY CONTAINS THE CRYSTALLOGRAPHIC ASYMMETRIC UNIT WHICH CONSISTS OF 8 CHAIN(S). THE BIOLOGICAL MOLECULE FOR THE PROTEIN IS UNKNOWN, HOWEVER THE ASYMMETRIC UNIT ANALYSIS SUGGESTED THAT OCTAMER COULD BE A RELEVANT BIOLOGICAL FORM.
A: Hypothetical protein SO2669 B: Hypothetical protein SO2669 C: Hypothetical protein SO2669 D: Hypothetical protein SO2669 F: Hypothetical protein SO2669 G: Hypothetical protein SO2669 H: Hypothetical protein SO2669 E: Hypothetical protein SO2669 ヘテロ分子
解像度: 1.9→1.93 Å / 冗長度: 4.4 % / Rmerge(I) obs: 0.64 / Mean I/σ(I) obs: 2 / % possible all: 93.2
-
解析
ソフトウェア
名称
バージョン
分類
REFMAC
5.2.0019
精密化
SBC-Collect
データ収集
HKL-3000
データ削減
HKL-3000
データスケーリング
HKL-3000
位相決定
精密化
構造決定の手法: 多波長異常分散 / 解像度: 1.9→40 Å / Cor.coef. Fo:Fc: 0.955 / Cor.coef. Fo:Fc free: 0.925 / SU B: 2.907 / SU ML: 0.089 / 交差検証法: THROUGHOUT / ESU R: 0.149 / ESU R Free: 0.144 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD / 詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
反射数
%反射
Selection details
Rfree
0.23066
2262
5 %
RANDOM
Rwork
0.18143
-
-
-
obs
0.18396
42681
99.17 %
-
all
-
45330
-
-
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
原子変位パラメータ
Biso mean: 21.04 Å2
Baniso -1
Baniso -2
Baniso -3
1-
-0.32 Å2
0 Å2
0 Å2
2-
-
-0.1 Å2
0 Å2
3-
-
-
0.42 Å2
精密化ステップ
サイクル: LAST / 解像度: 1.9→40 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
3935
0
52
365
4352
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
数
X-RAY DIFFRACTION
r_bond_refined_d
0.018
0.022
4127
X-RAY DIFFRACTION
r_bond_other_d
0.002
0.02
2953
X-RAY DIFFRACTION
r_angle_refined_deg
1.449
1.976
5547
X-RAY DIFFRACTION
r_angle_other_deg
0.942
3
7206
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
4.754
5
505
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
34.214
24.948
194
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
14.106
15
855
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
12.447
15
37
X-RAY DIFFRACTION
r_chiral_restr
0.088
0.2
598
X-RAY DIFFRACTION
r_gen_planes_refined
0.006
0.02
4459
X-RAY DIFFRACTION
r_gen_planes_other
0.001
0.02
754
X-RAY DIFFRACTION
r_nbd_refined
0.224
0.2
977
X-RAY DIFFRACTION
r_nbd_other
0.2
0.2
3165
X-RAY DIFFRACTION
r_nbtor_refined
0.175
0.2
2005
X-RAY DIFFRACTION
r_nbtor_other
0.088
0.2
1924
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
0.181
0.2
318
X-RAY DIFFRACTION
r_xyhbond_nbd_other
X-RAY DIFFRACTION
r_metal_ion_refined
X-RAY DIFFRACTION
r_metal_ion_other
X-RAY DIFFRACTION
r_symmetry_vdw_refined
0.115
0.2
34
X-RAY DIFFRACTION
r_symmetry_vdw_other
0.28
0.2
144
X-RAY DIFFRACTION
r_symmetry_hbond_refined
0.166
0.2
42
X-RAY DIFFRACTION
r_symmetry_hbond_other
X-RAY DIFFRACTION
r_symmetry_metal_ion_refined
X-RAY DIFFRACTION
r_symmetry_metal_ion_other
X-RAY DIFFRACTION
r_mcbond_it
1.57
1.5
3176
X-RAY DIFFRACTION
r_mcbond_other
0.311
1.5
1004
X-RAY DIFFRACTION
r_mcangle_it
1.825
2
3970
X-RAY DIFFRACTION
r_scbond_it
2.953
3
1896
X-RAY DIFFRACTION
r_scangle_it
4.222
4.5
1565
X-RAY DIFFRACTION
r_rigid_bond_restr
X-RAY DIFFRACTION
r_sphericity_free
X-RAY DIFFRACTION
r_sphericity_bonded
LS精密化 シェル
解像度: 1.901→1.95 Å / Total num. of bins used: 20
Rfactor
反射数
%反射
Rfree
0.305
162
-
Rwork
0.218
2910
-
obs
-
-
92.78 %
精密化 TLS
S32: 0 Å ° / T23: 0 Å2 / 手法: refined / Origin z: 0 Å / Refine-ID: X-RAY DIFFRACTION