マシュー密度: 3.08 Å3/Da / 溶媒含有率: 60.05 % 解説: Flat plate like single crystals formed on Mylar surface. Other tested surfaces (glass, Kapton, poly propylene, poly ethylene, and COC) yielded poorly diffracting crystals, micro crystals, or poly-crystals.
結晶化
温度: 293 K / 手法: 蒸気拡散法, シッティングドロップ法 / pH: 4 詳細: Crystallization screening accomplished using combinatorial crystallization strategy. Separate libraries of precipitants, buffers, and additives were combinatorially combined with protein (11 ...詳細: Crystallization screening accomplished using combinatorial crystallization strategy. Separate libraries of precipitants, buffers, and additives were combinatorially combined with protein (11 mg/mL protein in 10 mM Tris-HCL pH 7.0) in situ on the crystallization plate. Final concentrations of mother liquor: Buffer: 83 mM Sodium Citrate pH 4.0 Additives: 670 mM lithium sulfate, 8 mM L-glutamine, 8 mM L-Aspartic acid, 8 mM glycine, 8 mM trans-4-hydroxy-L-proline. Reservoir solution:Precipitant: 2 M lithium sulfate Crystals only grow on Mylar surface (many surfaces were tested).
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: 0.9202 Å / 相対比: 1
反射
解像度: 2.34→110.31 Å / Num. obs: 29876 / % possible obs: 99.4 % / 冗長度: 4.73 % / CC1/2: 0.955 / Rmerge(I) obs: 0.335 / Net I/σ(I): 4.47
反射 シェル
解像度: 2.34→2.4 Å / Rmerge(I) obs: 0.707 / Num. unique obs: 2116 / CC1/2: 0.622 / % possible all: 96.3
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解析
ソフトウェア
名称
バージョン
分類
REFMAC
5.8.0135
精密化
XDS
データ削減
XSCALE
データスケーリング
PHASER
位相決定
精密化
構造決定の手法: 単波長異常分散 / 解像度: 2.34→110.31 Å / Cor.coef. Fo:Fc: 0.947 / Cor.coef. Fo:Fc free: 0.918 / SU B: 7.312 / SU ML: 0.168 / 交差検証法: THROUGHOUT / ESU R: 0.287 / ESU R Free: 0.212 / 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
0.22256
1483
5 %
RANDOM
Rwork
0.18192
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obs
0.18399
28375
99.36 %
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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: 1.2 Å / 溶媒モデル: MASK