THE CONSTRUCT WAS EXPRESSED WITH A PURIFICATION TAG MGSDKIHHHHHHENLYFQG. THE TAG WAS REMOVED WITH ...THE CONSTRUCT WAS EXPRESSED WITH A PURIFICATION TAG MGSDKIHHHHHHENLYFQG. THE TAG WAS REMOVED WITH TEV PROTEASE LEAVING ONLY A GLYCINE (0) FOLLOWED BY RESIDUES 25-387 OF THE TARGET SEQUENCE.
モノクロメーター: single crystal Si(111) bent / プロトコル: MAD / 単色(M)・ラウエ(L): M / 散乱光タイプ: x-ray
放射波長
ID
波長 (Å)
相対比
1
0.91837
1
2
0.97947
1
3
0.97876
1
反射
解像度: 1.89→28.033 Å / Num. obs: 42443 / % possible obs: 69 % / Observed criterion σ(I): -3 / 冗長度: 1.94 % / Biso Wilson estimate: 20.477 Å2 / Rmerge(I) obs: 0.079 / Net I/σ(I): 6.69
反射 シェル
解像度 (Å)
Rmerge(I) obs
Mean I/σ(I) obs
Num. measured obs
Num. unique obs
Diffraction-ID
% possible all
1.89-1.96
0.437
1.75
2905
2651
1
23.1
1.96-2.04
0.319
2.2
5245
4763
1
41.8
2.04-2.13
0.246
2.8
6894
6309
1
59
2.13-2.24
0.177
3.6
9417
8627
1
79.5
2.24-2.38
0.141
4.2
9560
8777
1
79
2.38-2.56
0.115
5
9209
8501
1
77.9
2.56-2.82
0.085
6.3
9915
9224
1
82.5
2.82-3.23
0.057
8.3
9601
8981
1
80.1
3.23-4.06
0.043
11.8
9650
9141
1
82.8
4.06-28.03
0.035
13.3
9978
9631
1
86.1
-
位相決定
位相決定
手法: 多波長異常分散
-
解析
ソフトウェア
名称
バージョン
分類
NB
MolProbity
3beta29
モデル構築
PDB_EXTRACT
3.1
データ抽出
SOLVE
位相決定
XSCALE
データスケーリング
BUSTER-TNT
精密化
XDS
データ削減
BUSTER
2.10.0
精密化
精密化
構造決定の手法: 多波長異常分散 / 解像度: 1.89→28.033 Å / Cor.coef. Fo:Fc: 0.951 / Cor.coef. Fo:Fc free: 0.9302 / Occupancy max: 1 / Occupancy min: 0.23 / 交差検証法: THROUGHOUT / σ(F): 0 詳細: 1. 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 TO ACCOUNT FOR THE ...詳細: 1. 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 TO ACCOUNT FOR THE REDUCED SCATTERING POWER DUE TO PARTIAL S-MET INCORPORATION. 2. ATOM RECORD CONTAINS SUM OF TLS AND RESIDUAL B FACTORS. ANISOU RECORD CONTAINS SUM OF TLS AND RESIDUAL U FACTORS. 3. THE MAD PHASES WERE USED AS RESTRAINTS DURING REFINEMENT. 4. NCS RESTRAINTS WERE IMPOSED BY AUTOBUSTER'S LSSR PROCEDURE (-AUTONCS) 5. EDO (ETHYLENE GLYCOL) AND EPE (HEPES) LIGANDS FROM CRYO- AND CRYS CONDITIONS ARE MODELED INT THE STRUCTURE. 6. THERE IS DISORDERED LOOP IN THE MODELED STRUCTURE 67-70.