BIOMOLECULE: 1 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND PROGRAM GENERATED ASSEMBLY INFORMATION ... BIOMOLECULE: 1 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND PROGRAM GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON BURIED SURFACE AREA. CRYSTAL PACKING ANALYSIS SUPPORTS THE ASSIGNMENT OF A MONOMER AS THE SIGNIFICANT OLIGOMERIZATION STATE.
Remark 999
SEQUENCE THE CONSTRUCT WAS EXPRESSED WITH A PURIFICATION TAG MGSDKIHHHHHHENLYFQG. THE TAG WAS ... SEQUENCE THE CONSTRUCT WAS EXPRESSED WITH A PURIFICATION TAG MGSDKIHHHHHHENLYFQG. THE TAG WAS REMOVED WITH TEV PROTEASE LEAVING ONLY A GLYCINE (0) FOLLOWED BY THE TARGET SEQUENCE.
タイプ: MARMOSAIC 300 mm CCD / 検出器: CCD / 日付: 2007年8月19日 / 詳細: Adjustable focusing mirrors in K-B geometry
放射
モノクロメーター: Si(111) Double crystal / プロトコル: SINGLE WAVELENGTH / 単色(M)・ラウエ(L): M / 散乱光タイプ: x-ray
放射波長
波長: 0.95373 Å / 相対比: 1
反射
解像度: 1.4→33.278 Å / Num. obs: 16758 / % possible obs: 90.5 % / 冗長度: 3.7 % / Rmerge(I) obs: 0.064 / Χ2: 1.274 / Net I/σ(I): 13
反射 シェル
解像度 (Å)
冗長度 (%)
Rmerge(I) obs
Num. unique all
Χ2
% possible all
1.4-1.45
3
0.261
1000
1.858
54
1.45-1.51
3.2
0.225
1443
1.622
78
1.51-1.58
3.6
0.203
1780
1.371
94.3
1.58-1.66
3.8
0.174
1761
1.306
95.1
1.66-1.76
3.9
0.134
1761
1.138
96
1.76-1.9
3.9
0.101
1766
1.101
96.7
1.9-2.09
3.9
0.081
1795
1.212
96.7
2.09-2.39
3.9
0.067
1799
1.286
97.3
2.39-3.02
3.9
0.06
1818
1.333
98
3.02-33.278
3.9
0.046
1835
1.017
99
-
位相決定
位相決定
手法: 単波長異常分散
-
解析
ソフトウェア
名称
バージョン
分類
NB
REFMAC
5.3.0040
精密化
PHENIX
精密化
SHELX
位相決定
MolProbity
3beta29
モデル構築
SCALEPACK
データスケーリング
PDB_EXTRACT
3
データ抽出
MAR345
CCD
データ収集
HKL-2000
データ削減
SOLVE
位相決定
SHELXD
位相決定
精密化
構造決定の手法: 単波長異常分散 / 解像度: 1.4→33.278 Å / Cor.coef. Fo:Fc: 0.977 / Cor.coef. Fo:Fc free: 0.959 / SU B: 3.929 / SU ML: 0.067 / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R: 0.092 / ESU R Free: 0.073 立体化学のターゲット値: MAXIMUM LIKELIHOOD WITH PHASES 詳細: 1. HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. 2. A MET-INHIBITION PROTOCOL WAS USED FOR SELENOMETHIONINE INCORPORATION DURING PROTEIN EXPRESSION. THE OCCUPANCY OF THE SE ATOMS IN THE ...詳細: 1. HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. 2. A MET-INHIBITION PROTOCOL WAS USED FOR SELENOMETHIONINE INCORPORATION DURING PROTEIN EXPRESSION. THE OCCUPANCY OF THE SE ATOMS IN THE MSE RESIDUES WAS REDUCED TO 0.75 FOR THE REDUCED SCATTERING POWER DUE TO PARTIAL S-MET INCORPORATION. 3. EDO MOLECULES FROM THE CRYO SOLUTION ARE MODELED.
Rfactor
反射数
%反射
Selection details
Rfree
0.187
851
5.1 %
RANDOM
Rwork
0.145
-
-
-
obs
0.147
16755
90.5 %
-
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 WITH MASK