プロトコル: SINGLE WAVELENGTH / 単色(M)・ラウエ(L): M / 散乱光タイプ: x-ray
放射波長
相対比: 1
反射
解像度: 2.6→50 Å / Num. obs: 21375
-
解析
ソフトウェア
名称
バージョン
分類
HKL-2000
データ収集
MOLREP
位相決定
REFMAC
5.7.0029
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: 多重同系置換 / 解像度: 2.601→33.73 Å / Cor.coef. Fo:Fc: 0.949 / Cor.coef. Fo:Fc free: 0.934 / SU B: 24.685 / SU ML: 0.227 / 交差検証法: THROUGHOUT / ESU R: 0.543 / ESU R Free: 0.294 / 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
0.24805
1083
5.1 %
RANDOM
Rwork
0.20968
-
-
-
obs
0.21164
20054
98.36 %
-
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: 59.783 Å2
Baniso -1
Baniso -2
Baniso -3
1-
0.05 Å2
-0 Å2
-0 Å2
2-
-
-0.03 Å2
0 Å2
3-
-
-
-0.02 Å2
精密化ステップ
サイクル: LAST / 解像度: 2.601→33.73 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
3930
0
3
31
3964
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
数
X-RAY DIFFRACTION
r_bond_refined_d
0.014
0.019
3966
X-RAY DIFFRACTION
r_bond_other_d
0.006
0.02
3948
X-RAY DIFFRACTION
r_angle_refined_deg
1.544
1.967
5358
X-RAY DIFFRACTION
r_angle_other_deg
0.982
3
9048
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
6.903
5
516
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
38.507
24.138
174
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
17.323
15
723
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
17.988
15
39
X-RAY DIFFRACTION
r_chiral_restr
0.088
0.2
648
X-RAY DIFFRACTION
r_gen_planes_refined
0.007
0.02
4491
X-RAY DIFFRACTION
r_gen_planes_other
0.005
0.02
834
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
X-RAY DIFFRACTION
r_mcbond_other
X-RAY DIFFRACTION
r_mcangle_it
X-RAY DIFFRACTION
r_scbond_it
X-RAY DIFFRACTION
r_scangle_it
X-RAY DIFFRACTION
r_rigid_bond_restr
X-RAY DIFFRACTION
r_sphericity_free
X-RAY DIFFRACTION
r_sphericity_bonded
Refine LS restraints NCS
Refine-ID: X-RAY DIFFRACTION / タイプ: interatomic distance / Rms dev position: 0.03 Å / Weight position: 0.05