THE PUBLISHED SEQUENCE IS FROM EXPRESSED MATERIAL WHILE THE SEQUENCE FOR THIS ENTRY IS FROM ...THE PUBLISHED SEQUENCE IS FROM EXPRESSED MATERIAL WHILE THE SEQUENCE FOR THIS ENTRY IS FROM PURIFIED MATERIAL. O.EL-KABBANI,N.C.GREEN,G.LIN,M.CARSON,S.V.L.NARAYANA, K.M.MOORE,T.G.FLYNN,L.J.DELUCAS. STRUCTURES OF HUMAN AND PORCINE ALDEHYDE REDUCTASE: AN ENZYME IMPLICATED IN DIABETIC COMPLICATIONS. ACTA CRYSTALLOGRAPHICA D50, 859-868, 1994.
解像度: 1.99→41.04 Å / Cor.coef. Fo:Fc: 0.94 / Cor.coef. Fo:Fc free: 0.889 / SU B: 5.797 / SU ML: 0.157 / 交差検証法: THROUGHOUT / σ(F): 1 / σ(I): 2 / ESU R: 0.216 / ESU R Free: 0.187 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD 詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. LYS A 294 IS LOCATED AT THE N-TERMINUS OF LOOP C.
Rfactor
反射数
%反射
Selection details
Rfree
0.24647
1150
5 %
RANDOM
Rwork
0.19157
-
-
-
obs
0.19432
21957
97.71 %
-
all
-
23667
-
-
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: 16.394 Å2
Baniso -1
Baniso -2
Baniso -3
1-
0.84 Å2
0.42 Å2
0 Å2
2-
-
0.84 Å2
0 Å2
3-
-
-
-1.27 Å2
Refine analyze
Luzzati coordinate error obs: 0.2271 Å
精密化ステップ
サイクル: LAST / 解像度: 1.99→41.04 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
2598
0
88
348
3034
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
数
X-RAY DIFFRACTION
r_bond_refined_d
0.011
0.022
2738
X-RAY DIFFRACTION
r_angle_refined_deg
1.545
2.003
3749
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
6.142
5
330
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
35.56
23.697
119
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
12.818
15
432
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
9.66
15
19
X-RAY DIFFRACTION
r_chiral_restr
0.086
0.2
410
X-RAY DIFFRACTION
r_gen_planes_refined
0.005
0.02
2086
X-RAY DIFFRACTION
r_nbd_refined
0.198
0.2
1317
X-RAY DIFFRACTION
r_nbtor_refined
0.303
0.2
1847
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
0.192
0.2
286
X-RAY DIFFRACTION
r_symmetry_vdw_refined
0.151
0.2
47
X-RAY DIFFRACTION
r_symmetry_hbond_refined
0.138
0.2
47
X-RAY DIFFRACTION
r_mcbond_it
0.57
1.5
1696
X-RAY DIFFRACTION
r_mcangle_it
0.954
2
2662
X-RAY DIFFRACTION
r_scbond_it
1.332
3
1215
X-RAY DIFFRACTION
r_scangle_it
1.918
4.5
1085
LS精密化 シェル
解像度: 1.99→2.1 Å / Rfactor Rfree error: 0.0116 / Total num. of bins used: 20