マシュー密度: 2.7 Å3/Da / 溶媒含有率: 54.44 % 解説: Very thin plates that nonetheless diffract to extreme high resolution.
結晶化
温度: 277 K / 手法: 蒸気拡散法, シッティングドロップ法 / pH: 8.5 詳細: Protein in buffer: 20 mM Hepes pH 7.5, 150 mM NaCl, 0.5 mM TCEP, at a concentration of 15.55 mg/ml (1.03 mM) Reservoir solution contains: Jeffamine ED-2001 pH 7.0 at 30%, Tris-HCl pH 8.5 at 0. ...詳細: Protein in buffer: 20 mM Hepes pH 7.5, 150 mM NaCl, 0.5 mM TCEP, at a concentration of 15.55 mg/ml (1.03 mM) Reservoir solution contains: Jeffamine ED-2001 pH 7.0 at 30%, Tris-HCl pH 8.5 at 0.1 M, 5% v/v Ethyl acetate PH範囲: 8.2-8.8 / Temp details: 4 degree Celsius
-
データ収集
回折
平均測定温度: 100 K / Ambient temp details: LN2 flow / Serial crystal experiment: N
解像度: 1.61→41.147 Å / Cor.coef. Fo:Fc: 0.956 / Cor.coef. Fo:Fc free: 0.942 / SU B: 1.434 / SU ML: 0.053 / 交差検証法: FREE R-VALUE / ESU R: 0.093 / ESU R Free: 0.095 / 詳細: Hydrogens have not been used
Rfactor
反射数
%反射
Rfree
0.2422
2933
5.079 %
Rwork
0.2063
54814
-
all
0.208
-
-
obs
-
57747
99.874 %
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: BABINET MODEL PLUS MASK
原子変位パラメータ
Biso mean: 29.413 Å2
Baniso -1
Baniso -2
Baniso -3
1-
0.058 Å2
0.029 Å2
0 Å2
2-
-
0.058 Å2
-0 Å2
3-
-
-
-0.189 Å2
精密化ステップ
サイクル: LAST / 解像度: 1.61→41.147 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
2862
0
60
229
3151
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
数
X-RAY DIFFRACTION
r_bond_refined_d
0.011
0.012
2990
X-RAY DIFFRACTION
r_angle_refined_deg
1.96
1.678
4021
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
5.851
5
348
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
34.588
22.549
153
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
14.785
15
614
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
15.743
15
21
X-RAY DIFFRACTION
r_chiral_restr
0.113
0.2
379
X-RAY DIFFRACTION
r_gen_planes_refined
0.01
0.02
2181
X-RAY DIFFRACTION
r_nbd_refined
0.213
0.2
1388
X-RAY DIFFRACTION
r_nbtor_refined
0.318
0.2
2091
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
0.092
0.2
181
X-RAY DIFFRACTION
r_symmetry_nbd_refined
0.202
0.2
59
X-RAY DIFFRACTION
r_symmetry_xyhbond_nbd_refined
0.104
0.2
10
X-RAY DIFFRACTION
r_mcbond_it
2.448
2.622
1398
X-RAY DIFFRACTION
r_mcangle_it
3.199
3.919
1742
X-RAY DIFFRACTION
r_scbond_it
4.116
3.046
1592
X-RAY DIFFRACTION
r_scangle_it
5.922
4.376
2279
X-RAY DIFFRACTION
r_lrange_it
6.606
35.987
4799
X-RAY DIFFRACTION
r_ncsr_local_group_1
0.118
0.05
3693
X-RAY DIFFRACTION
r_ncsr_local_group_2
0.137
0.05
3631
X-RAY DIFFRACTION
r_ncsr_local_group_3
0.136
0.05
3585
Refine LS restraints NCS
Ens-ID
Dom-ID
Auth asym-ID
Refine-ID
タイプ
Rms dev position (Å)
Weight position
1
1
AAA
X-RAY DIFFRACTION
Localncs
0.11795
0.05007
1
2
BBB
X-RAY DIFFRACTION
Localncs
0.11795
0.05007
2
3
AAA
X-RAY DIFFRACTION
Localncs
0.1369
0.05007
2
4
CCC
X-RAY DIFFRACTION
Localncs
0.1369
0.05007
3
5
BBB
X-RAY DIFFRACTION
Localncs
0.13598
0.05007
3
6
CCC
X-RAY DIFFRACTION
Localncs
0.13598
0.05007
LS精密化 シェル
Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 20