解像度: 2.74→2.84 Å / Rmerge(I) obs: 0.566 / Mean I/σ(I) obs: 2.3 / Rsym value: 0.566 / % possible all: 86.7
-
解析
ソフトウェア
名称
分類
Blu-Ice
データ収集
REFMAC
精密化
HKL-2000
データ削減
HKL-2000
データスケーリング
REFMAC
位相決定
精密化
構造決定の手法: フーリエ合成 / 解像度: 2.73→130.19 Å / Cor.coef. Fo:Fc: 0.918 / Cor.coef. Fo:Fc free: 0.888 / SU B: 35.939 / SU ML: 0.331 / 交差検証法: THROUGHOUT / ESU R: 0.688 / ESU R Free: 0.359 / 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
0.28965
1701
5 %
RANDOM
Rwork
0.25687
-
-
-
obs
0.25854
31999
98.69 %
-
all
-
34259
-
-
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
原子変位パラメータ
Biso mean: 31.923 Å2
Baniso -1
Baniso -2
Baniso -3
1-
6.07 Å2
0 Å2
0 Å2
2-
-
-1.16 Å2
0 Å2
3-
-
-
-4.9 Å2
精密化ステップ
サイクル: LAST / 解像度: 2.73→130.19 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
6202
0
78
9
6289
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
数
X-RAY DIFFRACTION
r_bond_refined_d
0.007
0.022
6422
X-RAY DIFFRACTION
r_bond_other_d
X-RAY DIFFRACTION
r_angle_refined_deg
1.06
1.961
8702
X-RAY DIFFRACTION
r_angle_other_deg
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
5.047
5
782
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
38.643
23.586
290
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
18.406
15
1098
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
17.32
15
40
X-RAY DIFFRACTION
r_chiral_restr
0.072
0.2
978
X-RAY DIFFRACTION
r_gen_planes_refined
0.003
0.02
4792
X-RAY DIFFRACTION
r_gen_planes_other
X-RAY DIFFRACTION
r_nbd_refined
X-RAY DIFFRACTION
r_nbd_other
X-RAY DIFFRACTION
r_nbtor_refined
X-RAY DIFFRACTION
r_nbtor_other
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
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
X-RAY DIFFRACTION
r_symmetry_vdw_other
X-RAY DIFFRACTION
r_symmetry_hbond_refined
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
0.22
1.5
3886
X-RAY DIFFRACTION
r_mcbond_other
X-RAY DIFFRACTION
r_mcangle_it
0.419
2
6294
X-RAY DIFFRACTION
r_scbond_it
0.511
3
2536
X-RAY DIFFRACTION
r_scangle_it
0.867
4.5
2408
X-RAY DIFFRACTION
r_rigid_bond_restr
X-RAY DIFFRACTION
r_sphericity_free
X-RAY DIFFRACTION
r_sphericity_bonded
Refine LS restraints NCS
Dom-ID: 1 / Auth asym-ID: A / Refine-ID: X-RAY DIFFRACTION