解像度: 2.3→2.38 Å / Rmerge(I) obs: 0.49 / Mean I/σ(I) obs: 4.2 / % possible all: 99.6
-
解析
ソフトウェア
名称
バージョン
分類
Blu-Ice
データ収集
SOLVE
位相決定
REFMAC
5.5.0088
精密化
HKL-2000
データ削減
HKL-2000
データスケーリング
精密化
構造決定の手法: 単波長異常分散 / 解像度: 2.31→130.19 Å / Cor.coef. Fo:Fc: 0.933 / Cor.coef. Fo:Fc free: 0.912 / SU B: 15.129 / SU ML: 0.167 / 交差検証法: THROUGHOUT / ESU R: 0.261 / ESU R Free: 0.217 立体化学のターゲット値: MAXIMUM LIKELIHOOD WITH PHASES 詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
反射数
%反射
Selection details
Rfree
0.2678
2843
5.1 %
RANDOM
Rwork
0.233
-
-
-
obs
0.23476
53234
99.35 %
-
all
-
56157
-
-
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: 15.933 Å2
Baniso -1
Baniso -2
Baniso -3
1-
1.62 Å2
0 Å2
0 Å2
2-
-
-0.17 Å2
0 Å2
3-
-
-
-1.45 Å2
精密化ステップ
サイクル: LAST / 解像度: 2.31→130.19 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
6202
0
0
107
6309
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
6338
X-RAY DIFFRACTION
r_bond_other_d
X-RAY DIFFRACTION
r_angle_refined_deg
1.778
1.942
8572
X-RAY DIFFRACTION
r_angle_other_deg
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
6.934
5
782
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
41.37
23.586
290
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
22.176
15
1098
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
20.212
15
40
X-RAY DIFFRACTION
r_chiral_restr
0.152
0.2
956
X-RAY DIFFRACTION
r_gen_planes_refined
0.007
0.021
4768
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
0.624
1.5
3886
X-RAY DIFFRACTION
r_mcbond_other
X-RAY DIFFRACTION
r_mcangle_it
1.192
2
6294
X-RAY DIFFRACTION
r_scbond_it
1.971
3
2452
X-RAY DIFFRACTION
r_scangle_it
2.985
4.5
2278
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