- PDB-2xir: Crystal structure of the VEGFR2 kinase domain in complex with PF-... -
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基本情報
登録情報
データベース: PDB / ID: 2xir
タイトル
Crystal structure of the VEGFR2 kinase domain in complex with PF- 00337210 (N,2-dimethyl-6-(7-(2-morpholinoethoxy)quinolin-4-yloxy) benzofuran-3-carboxamide)
温度: 286 K / 手法: 蒸気拡散法, ハンギングドロップ法 / pH: 7.5 詳細: PROTEIN PRODUCTION, PROTEIN PURIFICATION, AND COCRYSTALLIZATION WERE PERFORMED AS PREVIOUSLY DESCRIBED (PUBLISHED INTERNATIONAL PATENT APPLICATION WO 2004/092217 HANGING DROP VAPOR DIFFUSION ...詳細: PROTEIN PRODUCTION, PROTEIN PURIFICATION, AND COCRYSTALLIZATION WERE PERFORMED AS PREVIOUSLY DESCRIBED (PUBLISHED INTERNATIONAL PATENT APPLICATION WO 2004/092217 HANGING DROP VAPOR DIFFUSION AT 13 DEGREES C. 2 MICROLITERS OF A 7.7 MG/ML PROTEIN SOLUTION (IN 50 MM HEPES 7.5, 30 MM SODIUM CHLORIDE, 5 MM DTT, AND 5% DMSO) WAS MIXED WITH 2 MICROLITERS OF CRYSTALLIZATION SOLUTION (100 MM HEPES PH 7.5, 20% PEG 6K AND 5% MPD) AND SUSPENDED OVER 1 ML OF CRYSTALLIZATION SOLUTION PLUS 5 MICROLITERS BME.
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データ収集
回折
平均測定温度: 89 K
放射光源
由来: シンクロトロン / サイト: ALS / ビームライン: 5.0.2 / 波長: 1
検出器
タイプ: ADSC CCD / 検出器: CCD / 日付: 2004年8月4日
放射
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: 1.45→50 Å / Num. obs: 67226 / % possible obs: 95.8 % / Observed criterion σ(I): 1 / 冗長度: 4.4 % / Rmerge(I) obs: 0.06 / Net I/σ(I): 22
反射 シェル
解像度: 1.45→1.5 Å / 冗長度: 2.3 % / Rmerge(I) obs: 0.48 / Mean I/σ(I) obs: 1.22 / % possible all: 68.2
解像度: 1.5→19.92 Å / Cor.coef. Fo:Fc: 0.954 / Cor.coef. Fo:Fc free: 0.946 / SU B: 1.359 / SU ML: 0.052 / 交差検証法: THROUGHOUT / ESU R: 0.079 / ESU R Free: 0.078 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD / 詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS.
Rfactor
反射数
%反射
Selection details
Rfree
0.23808
3178
5.1 %
RANDOM
Rwork
0.21747
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obs
0.21852
59334
98.83 %
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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: 1.4 Å / 溶媒モデル: MASK