Ens-ID: 1 / Beg auth comp-ID: ALA / Beg label comp-ID: ALA / End auth comp-ID: ALA / End label comp-ID: ALA / Auth seq-ID: 33 - 459 / Label seq-ID: 67 - 493
Dom-ID
Component-ID
Auth asym-ID
Label asym-ID
1
1
AAA
A
2
2
BBB
B
NCSアンサンブル: (詳細: Local NCS retraints between domains: 1 2)
温度: 291 K / 手法: マイクロバッチ法 詳細: 12.5% w/v PEG 1000, 12.5% w/v PEG 3350, 12.5% v/v (RS)-2-methyl-2,4-pentanediol (MPD) 0.03M of each of sodium nitrate, disodium hydrogen phosphate and ammonium sulfate in 0.1M MES/imidazole ...詳細: 12.5% w/v PEG 1000, 12.5% w/v PEG 3350, 12.5% v/v (RS)-2-methyl-2,4-pentanediol (MPD) 0.03M of each of sodium nitrate, disodium hydrogen phosphate and ammonium sulfate in 0.1M MES/imidazole pH6.5 buffer.5 mM PLP and 5 mM pyruvate
解像度: 1.95→56.408 Å / Cor.coef. Fo:Fc: 0.964 / Cor.coef. Fo:Fc free: 0.947 / SU B: 15.01 / SU ML: 0.339 / 交差検証法: FREE R-VALUE / ESU R: 0.255 / ESU R Free: 0.202 / 詳細: Hydrogens have not been used
Rfactor
反射数
%反射
Rfree
0.2788
2758
4.986 %
Rwork
0.2433
52552
-
all
0.245
-
-
obs
-
55310
97.678 %
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: 64.113 Å2
Baniso -1
Baniso -2
Baniso -3
1-
-1.362 Å2
-2.605 Å2
5.517 Å2
2-
-
-0.053 Å2
-3.352 Å2
3-
-
-
1.164 Å2
精密化ステップ
サイクル: LAST / 解像度: 1.95→56.408 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
6702
0
65
76
6843
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
数
X-RAY DIFFRACTION
r_bond_refined_d
0.005
0.012
6978
X-RAY DIFFRACTION
r_angle_refined_deg
1.156
1.637
9443
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
6.646
5
866
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
31.666
20.891
393
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
16.843
15
1128
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
16.676
15
58
X-RAY DIFFRACTION
r_chiral_restr
0.088
0.2
847
X-RAY DIFFRACTION
r_gen_planes_refined
0.005
0.02
5438
X-RAY DIFFRACTION
r_nbd_refined
0.218
0.2
3453
X-RAY DIFFRACTION
r_nbtor_refined
0.31
0.2
4723
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
0.165
0.2
271
X-RAY DIFFRACTION
r_metal_ion_refined
0.23
0.2
1
X-RAY DIFFRACTION
r_symmetry_nbd_refined
0.195
0.2
29
X-RAY DIFFRACTION
r_symmetry_xyhbond_nbd_refined
0.205
0.2
3
X-RAY DIFFRACTION
r_mcbond_it
3.932
6.22
3428
X-RAY DIFFRACTION
r_mcangle_it
5.989
9.316
4285
X-RAY DIFFRACTION
r_scbond_it
3.969
6.591
3550
X-RAY DIFFRACTION
r_scangle_it
6.011
9.753
5151
X-RAY DIFFRACTION
r_lrange_it
12.008
117.44
30428
X-RAY DIFFRACTION
r_ncsr_local_group_1
0.076
0.05
14239
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
0.07605
0.05009
1
2
BBB
X-RAY DIFFRACTION
Localncs
0.07605
0.05009
LS精密化 シェル
Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 20