SHEET THE SHEET STRUCTURE OF THIS MOLECULE IS BIFURCATED. IN ORDER TO REPRESENT THIS FEATURE IN ... SHEET THE SHEET STRUCTURE OF THIS MOLECULE IS BIFURCATED. IN ORDER TO REPRESENT THIS FEATURE IN THE SHEET RECORDS BELOW, TWO SHEETS ARE DEFINED.
RESIDES 1-2, MT, ARE THOUGHT TO BE CLEAVED. THE WILD TYPE MATURE PROTEIN IS COMPOSED OF RESIDUES 3- ...RESIDES 1-2, MT, ARE THOUGHT TO BE CLEAVED. THE WILD TYPE MATURE PROTEIN IS COMPOSED OF RESIDUES 3-638. RESIDUES 639- 640, SN, IS A PRE-TAG SPACER. RESIDUES 641-648, WSHPQFEK, IS A STREP-TAG II. SEE JUDA ET AL. (2001) PROTEIN EXPRESSION AND PURIFICATION, 22, 455-461
-
実験情報
-
実験
実験
手法: X線回折 / 使用した結晶の数: 1
-
試料調製
結晶
マシュー密度: 3.08 Å3/Da / 溶媒含有率: 60.02 % / 解説: NONE
結晶化
手法: 蒸気拡散法, ハンギングドロップ法 / pH: 7 詳細: THE CRYSTAL WAS GROWN BY HANGING DROP OVER 150 MM CITRATE PH 7.0, 1000 MM NH4SO4. PROTEIN CONCENTRATION WAS 11.9 MG/ML. THE INHIBITOR WAS ADDED BY SOAKING, WITH ALL STEPS IN THE DARK. 2.6 MG ...詳細: THE CRYSTAL WAS GROWN BY HANGING DROP OVER 150 MM CITRATE PH 7.0, 1000 MM NH4SO4. PROTEIN CONCENTRATION WAS 11.9 MG/ML. THE INHIBITOR WAS ADDED BY SOAKING, WITH ALL STEPS IN THE DARK. 2.6 MG OF THE INHIBITOR (WC4D) DISSOLVED IN 20 MICROLITRE ETHANOL. 1MICROLITRE OF THIS WAS ADDED TO THE 200MICROLITRE RESERVOIR. GLYCEROL WAS THEN, ADDED IN 2-3% INCREMENTS, TO THE RESERVOIR, WITH THE NEW RESERVOIR SOLUTION SUBSTITUTING THE DROP SOLUTION. THE SOAK SAT FOR 24 HOURS AT 5% GLYCEROL. THE FINAL GLYCEROL CONCENTRATION WAS 30%.
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: 1.5418 Å / 相対比: 1
反射
解像度: 1.55→30 Å / Num. obs: 1194221 / % possible obs: 91.8 % / Observed criterion σ(I): -3 / 冗長度: 5.27 % / Biso Wilson estimate: 22.69 Å2 / Rmerge(I) obs: 0.04 / Net I/σ(I): 10.53
反射 シェル
解像度: 1.54→1.6 Å / 冗長度: 4.167 % / Rmerge(I) obs: 0.41 / Mean I/σ(I) obs: 1.62 / % possible all: 71.9
-
解析
ソフトウェア
名称
バージョン
分類
REFMAC
5.1.24
精密化
DENZO
データ削減
SCALEPACK
データスケーリング
REFMAC
位相決定
精密化
構造決定の手法: 分子置換 / 解像度: 1.55→30.01 Å / Cor.coef. Fo:Fc: 0.967 / Cor.coef. Fo:Fc free: 0.962 / SU B: 1.826 / SU ML: 0.058 / 交差検証法: THROUGHOUT / ESU R: 0.082 / ESU R Free: 0.081 / 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
0.224
11299
5 %
RANDOM
Rwork
0.203
-
-
-
obs
0.204
214129
92.6 %
-
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: BABINET MODEL WITH MASK