#2: ジャーナル: Biophys.Chem. / 年: 2005 タイトル: Towards a New Therapeutic Target: Helicobacter Pylori Flavodoxin. 著者: Cremades, N. / Bueno, M. / Toja, M. / Sancho, J.
SHEET THE SHEET STRUCTURE OF THIS MOLECULE IS BIFURCATED. IN ORDER TO REPRESENT THIS FEATURE IN ... SHEET THE SHEET STRUCTURE OF THIS MOLECULE IS BIFURCATED. IN ORDER TO REPRESENT THIS FEATURE IN THE SHEET RECORDS BELOW, TWO SHEETS ARE DEFINED.
THE SEQUENCE CONFLICTS LISTED IN THE SEQADV RECORDS BELOW ARE DUE TO THE FACT THAT THE PROTEIN ...THE SEQUENCE CONFLICTS LISTED IN THE SEQADV RECORDS BELOW ARE DUE TO THE FACT THAT THE PROTEIN SEQUENCE WAS OBTAINED DIRECTLY FROM THE H.PYLORI BACTERIA OF A PATIENT.
解像度: 2.62→22 Å / 交差検証法: THROUGHOUT 詳細: AFTER MODEL REFINEMENT WITH CNS PROGRAM A LAST CYCLE OF REFINEMENT WAS PERFORMED USING REFMAC5 WITH TLS. INITIAL METEONINE RESIDUE WAS NOT OBSERVED NEITHER IN MOLECULE A NOR IN MOLECULE B
Rfactor
反射数
%反射
Selection details
Rfree
0.264
595
7 %
RANDOM
Rwork
0.227
-
-
-
obs
0.227
7928
99.8 %
-
溶媒の処理
溶媒モデル: BABINET MODEL WITH MASK
原子変位パラメータ
Biso mean: 27.02 Å2
Baniso -1
Baniso -2
Baniso -3
1-
2.37 Å2
0 Å2
-0.55 Å2
2-
-
-0.34 Å2
0 Å2
3-
-
-
-2.19 Å2
精密化ステップ
サイクル: LAST / 解像度: 2.62→22 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
2446
0
83
89
2618
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
X-RAY DIFFRACTION
c_bond_d
0.011
X-RAY DIFFRACTION
c_bond_d_na
X-RAY DIFFRACTION
c_bond_d_prot
X-RAY DIFFRACTION
c_angle_d
X-RAY DIFFRACTION
c_angle_d_na
X-RAY DIFFRACTION
c_angle_d_prot
X-RAY DIFFRACTION
c_angle_deg
1.58
X-RAY DIFFRACTION
c_angle_deg_na
X-RAY DIFFRACTION
c_angle_deg_prot
X-RAY DIFFRACTION
c_dihedral_angle_d
X-RAY DIFFRACTION
c_dihedral_angle_d_na
X-RAY DIFFRACTION
c_dihedral_angle_d_prot
X-RAY DIFFRACTION
c_improper_angle_d
X-RAY DIFFRACTION
c_improper_angle_d_na
X-RAY DIFFRACTION
c_improper_angle_d_prot
X-RAY DIFFRACTION
c_mcbond_it
0.772
1.5
X-RAY DIFFRACTION
c_mcangle_it
1.43
2
X-RAY DIFFRACTION
c_scbond_it
2.053
3
X-RAY DIFFRACTION
c_scangle_it
3.117
4.5
LS精密化 シェル
解像度: 2.62→2.69 Å / Rfactor Rfree: 0.306 / Rfactor Rwork: 0.283 / Total num. of bins used: 20