SHEET DETERMINATION METHOD: DSSP THE SHEETS PRESENTED AS "AB" IN EACH CHAIN ON SHEET RECORDS BELOW ... SHEET DETERMINATION METHOD: DSSP THE SHEETS PRESENTED AS "AB" IN EACH CHAIN ON SHEET RECORDS BELOW IS ACTUALLY AN 7-STRANDED BARREL THIS IS REPRESENTED BY A 8-STRANDED SHEET IN WHICH THE FIRST AND LAST STRANDS ARE IDENTICAL. THE SHEETS PRESENTED AS "BB" IN EACH CHAIN ON SHEET RECORDS BELOW IS ACTUALLY AN 7-STRANDED BARREL THIS IS REPRESENTED BY A 8-STRANDED SHEET IN WHICH THE FIRST AND LAST STRANDS ARE IDENTICAL.
ENGINEERED RESIDUE IN CHAIN A, CYS 1133 TO ALA ENGINEERED RESIDUE IN CHAIN B, CYS 1133 TO ALA
配列の詳細
GLY AND SER AT THE N-TERMINUS OF THE PROTEIN IS DERIVED FROM THE TAG. ALA AT POSITION 139 IS A CYS ...GLY AND SER AT THE N-TERMINUS OF THE PROTEIN IS DERIVED FROM THE TAG. ALA AT POSITION 139 IS A CYS IN GENBANK SEQUENCE. THIS HAS BEEN MUTATED INTENTIONALLY.
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実験情報
-
実験
実験
手法: X線回折 / 使用した結晶の数: 1
-
試料調製
結晶
マシュー密度: 2.2 Å3/Da / 溶媒含有率: 44.45 % / 解説: NONE
結晶化
pH: 7.5 詳細: 0.2 M KSCN,0.1 M BIS-TRIS PROPANE PH 7.5, 20% W/V POLY-ETHYLENE GLYCOL (PEG) 3350
解像度: 1.578→48.032 Å / SU ML: 0.18 / σ(F): 1.4 / 位相誤差: 23.7 / 立体化学のターゲット値: ML 詳細: RESIDUES 124-130 OF CHAIN A INCLUSIVE ARE DISORDERED IN THS STRUCTURE AS ARE RESIDUES 124-131 INCLUSIVE OF CHAIN B.
Rfactor
反射数
%反射
Rfree
0.2084
2266
5 %
Rwork
0.1836
-
-
obs
0.1849
44931
93.94 %
溶媒の処理
減衰半径: 0.83 Å / VDWプローブ半径: 1.1 Å / 溶媒モデル: FLAT BULK SOLVENT MODEL / Bsol: 38.321 Å2 / ksol: 0.322 e/Å3
原子変位パラメータ
Baniso -1
Baniso -2
Baniso -3
1-
-5.1405 Å2
0 Å2
0 Å2
2-
-
14.401 Å2
0 Å2
3-
-
-
-9.2605 Å2
精密化ステップ
サイクル: LAST / 解像度: 1.578→48.032 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
2585
0
0
290
2875
拘束条件
Refine-ID
タイプ
Dev ideal
数
X-RAY DIFFRACTION
f_bond_d
0.006
2679
X-RAY DIFFRACTION
f_angle_d
0.98
3660
X-RAY DIFFRACTION
f_dihedral_angle_d
11.609
908
X-RAY DIFFRACTION
f_chiral_restr
0.066
425
X-RAY DIFFRACTION
f_plane_restr
0.004
464
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 (%)
1.5781-1.6148
0.3027
113
0.2655
1905
X-RAY DIFFRACTION
64
1.6148-1.6552
0.2868
133
0.2424
2262
X-RAY DIFFRACTION
76
1.6552-1.7
0.2823
124
0.2214
2577
X-RAY DIFFRACTION
86
1.7-1.75
0.2555
158
0.2117
2828
X-RAY DIFFRACTION
94
1.75-1.8065
0.2233
166
0.1987
2929
X-RAY DIFFRACTION
98
1.8065-1.8711
0.2593
130
0.1868
2971
X-RAY DIFFRACTION
99
1.8711-1.946
0.1889
173
0.1776
2944
X-RAY DIFFRACTION
99
1.946-2.0346
0.2063
144
0.1796
2996
X-RAY DIFFRACTION
99
2.0346-2.1418
0.2135
145
0.1774
2958
X-RAY DIFFRACTION
98
2.1418-2.276
0.2084
145
0.1846
3033
X-RAY DIFFRACTION
99
2.276-2.4517
0.2439
152
0.1837
2997
X-RAY DIFFRACTION
100
2.4517-2.6984
0.2261
160
0.1938
3068
X-RAY DIFFRACTION
100
2.6984-3.0889
0.2183
160
0.1938
2991
X-RAY DIFFRACTION
98
3.0889-3.8914
0.1929
177
0.1833
3042
X-RAY DIFFRACTION
99
3.8914-48.0547
0.1788
186
0.1637
3164
X-RAY DIFFRACTION
99
精密化 TLS
手法: refined / Origin x: -5.0045 Å / Origin y: -12.5719 Å / Origin z: 25.112 Å