SHEET DETERMINATION METHOD: DSSP THE SHEETS PRESENTED AS "BB" IN EACH CHAIN ON SHEET RECORDS BELOW ... SHEET DETERMINATION METHOD: DSSP THE SHEETS PRESENTED AS "BB" IN EACH CHAIN ON SHEET RECORDS BELOW IS ACTUALLY AN 6-STRANDED BARREL THIS IS REPRESENTED BY A 7-STRANDED SHEET IN WHICH THE FIRST AND LAST STRANDS ARE IDENTICAL.
分子量: 1363.399 Da / 分子数: 1 / 断片: RESIDUES 55-64 / 由来タイプ: 合成 詳細: THIS POLYPEPTIDE CHAIN WAS CHEMICALLY SYNTHESIZED. THE SEQUENCE FOR THIS CHAIN OCCURS NATURALLY IN THE C-TERMINAL OF MEDICINAL LEECH(HIRUDO MEDICINALIS). 由来: (合成) HIRUDO MEDICINALIS (医用ビル) / 参照: UniProt: P28501, UniProt: P01050*PLUS
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タンパク質 , 1種, 1分子 B
#2: タンパク質
THROMBIN / HUMAN ALPHA THROMBIN / COAGULATION FACTOR II
RESIDUES THAT ARE MISSING FROM CHAIN A ARE THR1H-GLU1C AND GLY14M-ARG15. RESIDUES THAT ARE MISSING ...RESIDUES THAT ARE MISSING FROM CHAIN A ARE THR1H-GLU1C AND GLY14M-ARG15. RESIDUES THAT ARE MISSING FROM CHAIN B ARE TRP148-LYS149E TYR H 63 IS SULFONATED
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実験情報
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実験
実験
手法: X線回折 / 使用した結晶の数: 1
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試料調製
結晶
マシュー密度: 2.27 Å3/Da / 溶媒含有率: 45.9 % / 解説: NONE
結晶化
pH: 7 詳細: CRYSTALLIZATION CONDITIONS: CRYSTALS WERE GROWN BY MACROSEEDING A SOLUTION OF 100MM HEPES PH 7.0, 28% PEG4K,500MM NACL.
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データ収集
回折
平均測定温度: 100 K
放射光源
由来: シンクロトロン / サイト: APS / ビームライン: 17-ID / 波長: 1
検出器
タイプ: ADSC CCD / 検出器: CCD
放射
モノクロメーター: SI (111) / 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: 1 Å / 相対比: 1
反射
解像度: 1.39→18.55 Å / Num. obs: 67018 / % possible obs: 95.9 % / Observed criterion σ(I): 2 / 冗長度: 3.9 % / Rmerge(I) obs: 0.07 / Net I/σ(I): 14.9
反射 シェル
解像度: 1.39→1.46 Å / 冗長度: 3.3 % / Rmerge(I) obs: 0.34 / Mean I/σ(I) obs: 2.32 / % possible all: 92.4
解像度: 1.39→18.55 Å / Num. parameters: 25160 / Num. restraintsaints: 30942 / 交差検証法: FREE R-VALUE / σ(F): 0 / 立体化学のターゲット値: ENGH AND HUBER 詳細: THE COORDINATES LIST BELOW HAS AMINO ACID NUMBERING FOLLOWING THE CHYMOTRYPSINOGEN NUMBERING SCHEME I.E. A MIXTURE OF SEQUENTIAL NUMBERS AND ALPHABETICAL LETTERS. ASN60G IN CHAIN B IS ...詳細: THE COORDINATES LIST BELOW HAS AMINO ACID NUMBERING FOLLOWING THE CHYMOTRYPSINOGEN NUMBERING SCHEME I.E. A MIXTURE OF SEQUENTIAL NUMBERS AND ALPHABETICAL LETTERS. ASN60G IN CHAIN B IS GLYCOSYLATED. THE MODEL WAS INITIALLY REFINED AGAINST F IN REFMAC-5, THEN FINALLY REFINED AGAINST F(SQUARED) USING SHELXL-97. HYDROGENS HAVE BEEN ADDED IN RIDING POSITIONS.
Rfactor
反射数
%反射
Selection details
Rfree
0.173
3345
5 %
RANDOM
obs
0.118
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95.9 %
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all
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67018
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Refine analyze
Num. disordered residues: 10 / Occupancy sum hydrogen: 2233.97 / Occupancy sum non hydrogen: 2739.94