温度: 293 K / 手法: 蒸気拡散法, シッティングドロップ法 詳細: The crystal of the r(UCGUGCGA)2 duplex was obtained in the presence of its complementary strand UCGCACGA. The crystals grew in the 12th condition of nucleic acid mini-screen from Hampton (10% ...詳細: The crystal of the r(UCGUGCGA)2 duplex was obtained in the presence of its complementary strand UCGCACGA. The crystals grew in the 12th condition of nucleic acid mini-screen from Hampton (10% MPD, 0.040 M Sodium cacodylate trihydrate pH 6.0, 0.012 M Spermine tetrahydrochloride, 0.08M M Potassium chloride, 0.02M M Barium chloride) and further cryoprotected by 35% of MPD.
構造決定の手法: 分子置換 開始モデル: model generated by Coot 解像度: 2.212→36.383 Å / Cor.coef. Fo:Fc: 0.964 / Cor.coef. Fo:Fc free: 0.959 / SU B: 26.087 / SU ML: 0.27 / 交差検証法: FREE R-VALUE / ESU R: 0.31 / ESU R Free: 0.245 / 詳細: Hydrogens have been added in their riding positions
Rfactor
反射数
%反射
Rfree
0.2857
123
5 %
Rwork
0.2337
2336
-
all
0.236
-
-
obs
-
2459
99.434 %
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 BULK SOLVENT
原子変位パラメータ
Biso mean: 70 Å2
Baniso -1
Baniso -2
Baniso -3
1-
2.771 Å2
1.385 Å2
-0 Å2
2-
-
2.771 Å2
-0 Å2
3-
-
-
-8.988 Å2
精密化ステップ
サイクル: LAST / 解像度: 2.212→36.383 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
0
336
1
2
339
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
数
X-RAY DIFFRACTION
r_bond_refined_d
0
0.001
374
X-RAY DIFFRACTION
r_bond_other_d
0.003
0.02
158
X-RAY DIFFRACTION
r_angle_refined_deg
1.584
1.027
580
X-RAY DIFFRACTION
r_angle_other_deg
1.401
2.515
382
X-RAY DIFFRACTION
r_chiral_restr
0.087
0.2
64
X-RAY DIFFRACTION
r_gen_planes_refined
0.024
0.02
190
X-RAY DIFFRACTION
r_gen_planes_other
0.001
0.02
72
X-RAY DIFFRACTION
r_nbd_refined
0.173
0.2
49
X-RAY DIFFRACTION
r_symmetry_nbd_other
0.273
0.2
190
X-RAY DIFFRACTION
r_nbtor_refined
0.249
0.2
136
X-RAY DIFFRACTION
r_symmetry_nbtor_other
0.075
0.2
81
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
0.186
0.2
7
X-RAY DIFFRACTION
r_symmetry_xyhbond_nbd_other
0.143
0.2
1
X-RAY DIFFRACTION
r_symmetry_nbd_refined
0.113
0.2
4
X-RAY DIFFRACTION
r_nbd_other
0.2
0.2
20
X-RAY DIFFRACTION
r_symmetry_xyhbond_nbd_refined
0.169
0.2
2
X-RAY DIFFRACTION
r_scbond_it
5.229
5.055
374
X-RAY DIFFRACTION
r_scbond_other
5.226
5.057
375
X-RAY DIFFRACTION
r_scangle_it
6.738
7.59
580
X-RAY DIFFRACTION
r_scangle_other
6.733
7.591
581
X-RAY DIFFRACTION
r_lrange_it
8.449
47.665
507
X-RAY DIFFRACTION
r_lrange_other
8.452
47.642
508
LS精密化 シェル
Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 20