マシュー密度: 2.5 Å3/Da / 溶媒含有率: 50.82 % 解説: Most of the crystals grew in plates that poorly diffracted to 3 Angstrons , nevertheless after searching in many drops we could find more tridimensional crystals that diffracted up to 1 Angstrom
結晶化
温度: 277.15 K / 手法: 蒸気拡散法, シッティングドロップ法 / pH: 7.5 詳細: Elution buffer (Size Exclusion): 50 mM Hepes pH 7.5, 50 mM NaCl, 1 mM DMSO Crystallization buffer: 17% PEG 6.000, 0.2 M calcium acetate
解像度: 1.09151939067→40.4 Å / SU ML: 0.0898747422135 / 交差検証法: FREE R-VALUE / 位相誤差: 17.5736458365 詳細: The data are >97% complete to 1.4A resolution. The low over all completeness is due to 68% completeness in the highest resolution shell (1.4-1.1A resolution
Rfactor
反射数
%反射
Rfree
0.159859886456
2000
1.82999359502 %
Rwork
0.150397880586
-
-
obs
0.150566354651
109290
81.8455501303 %
溶媒の処理
減衰半径: 0.9 Å / VDWプローブ半径: 1.11 Å
原子変位パラメータ
Biso mean: 17.3294899896 Å2
精密化ステップ
サイクル: LAST / 解像度: 1.09151939067→40.4 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
2296
0
54
480
2830
拘束条件
Refine-ID
タイプ
Dev ideal
数
X-RAY DIFFRACTION
f_bond_d
0.00914097867011
2521
X-RAY DIFFRACTION
f_angle_d
1.05328660683
3440
X-RAY DIFFRACTION
f_chiral_restr
0.374613677346
389
X-RAY DIFFRACTION
f_plane_restr
0.0067036751346
440
X-RAY DIFFRACTION
f_dihedral_angle_d
20.4064454927
930
LS精密化 シェル
解像度 (Å)
Rfactor Rfree
Num. reflection Rfree
Rfactor Rwork
Num. reflection Rwork
Refine-ID
% reflection obs (%)
1.0915-1.1188
0.294345463749
62
0.273842922882
3314
X-RAY DIFFRACTION
35.6306068602
1.1188-1.1491
0.268070864482
81
0.243758713686
4339
X-RAY DIFFRACTION
46.3993281545
1.1491-1.1829
0.222916579328
113
0.222757198725
6070
X-RAY DIFFRACTION
65.1184834123
1.1829-1.2211
0.214846772732
133
0.213038021783
7144
X-RAY DIFFRACTION
76.4471057884
1.2211-1.2647
0.198458138721
140
0.199025941427
7541
X-RAY DIFFRACTION
80.6065694197
1.2647-1.3154
0.19329300452
146
0.188588684079
7825
X-RAY DIFFRACTION
83.5359463425
1.3154-1.3752
0.195249848765
154
0.181288778515
8230
X-RAY DIFFRACTION
88.1227664494
1.3752-1.4477
0.182448285302
157
0.166788990355
8463
X-RAY DIFFRACTION
90.6795707974
1.4477-1.5384
0.167515356022
163
0.151908474498
8712
X-RAY DIFFRACTION
93.0976607574
1.5384-1.6572
0.155367220547
166
0.142058235881
8900
X-RAY DIFFRACTION
95.1711106446
1.6572-1.824
0.136298298816
168
0.141345075836
9054
X-RAY DIFFRACTION
96.3133159269
1.824-2.0879
0.154532377427
170
0.136071078013
9109
X-RAY DIFFRACTION
97.1216244505
2.0879-2.6305
0.144648645703
172
0.137309648637
9200
X-RAY DIFFRACTION
97.9924717691
2.6305-44.5701
0.147078822708
175
0.138208070879
9389
X-RAY DIFFRACTION
98.9959631508
精密化 TLS
手法: refined / Origin x: -38.1723037237 Å / Origin y: 86.9790978427 Å / Origin z: 63.5542836084 Å