Database reference is Q6R2Q7 which had been referred by PDB code 3AI7 according to author's request. ...Database reference is Q6R2Q7 which had been referred by PDB code 3AI7 according to author's request. Residue 575 is originally UNK.
温度: 298 K / 手法: batch mode 詳細: Equal amount of 15 mg ml-1 PKT solution (4 mM DTT, 10 mg ml-1 ThDpp) and precipitant solution (50 mM malonate, 12% tacsimate (pH5), 17% PEG3350) were mixed in order to prepare seed crystals. ...詳細: Equal amount of 15 mg ml-1 PKT solution (4 mM DTT, 10 mg ml-1 ThDpp) and precipitant solution (50 mM malonate, 12% tacsimate (pH5), 17% PEG3350) were mixed in order to prepare seed crystals. Preparations of seed crystals of PKT were performed by utilizing light induced crystallization method which promoted to form initial crystal nucleus by evanescent field arised from light irradiation to gold nano-particle vapored on general polystyrene plate (Fujifilm Wako). After 16 h, precipitated crystals were homogenized and centrifuged to use supernatant as seed solution. For the purpose of forming micro-sized crystals of PKT, 1176 micro l of protein-precipitant solution mixture as the same components of seed crystals preparation was mixed with 120 micro l of the seed solution in a 1.5 ml tube. After gentle rotation at 25 degree C for 2 h, the supernatant was exchanged to the same precipitant solution. The same buffer exchange was iteratively conducted after 10 h and 16 h.
解像度: 2.5→46.8 Å / Cor.coef. Fo:Fc: 0.97 / Cor.coef. Fo:Fc free: 0.943 / WRfactor Rfree: 0.238 / WRfactor Rwork: 0.1757 / FOM work R set: 0.7736 / SU B: 11.561 / SU ML: 0.236 / SU R Cruickshank DPI: 0.3659 / SU Rfree: 0.2414 / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R: 0.366 / ESU R Free: 0.241 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD 詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS U VALUES : REFINED INDIVIDUALLY
Rfactor
反射数
%反射
Selection details
Rfree
0.2176
14633
5 %
RANDOM
Rwork
0.1613
-
-
-
obs
0.1642
277500
99.98 %
-
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