Netrin-1 without C-terminal domain forms monomers, dimers, and higher order oligomers in solution, as evidenced by dynamic light scattering (DLS), size exclusion chromatography (SEC), and small angle X-ray scattering (SAXS). In the presence of glycine and high concentrations of sodium chloride, the dimeric form can be stabilized. The asymmetric unit contains one monomer. A dimer that resembles the shape model obtained from SAXS can be obtained by applying the following crystallographic symmetry operation: x-y, -y, -z+1/3.
解像度: 2.5→50 Å / Num. all: 27279 / Num. obs: 27279 / % possible obs: 80.9 % / 冗長度: 10.5 % / Biso Wilson estimate: 60.1 Å2 / Rmerge(I) obs: 0.129 / Net I/σ(I): 8.8
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解析
ソフトウェア
名称
バージョン
分類
HKL-2000
データ収集
SHARP
位相決定
REFMAC
5.8.0049
精密化
HKL-2000
データ削減
SCALEPACK
データスケーリング
精密化
構造決定の手法: 単一同系置換・異常分散 / 解像度: 2.64→50 Å / Cor.coef. Fo:Fc: 0.926 / Cor.coef. Fo:Fc free: 0.862 / SU B: 29.397 / SU ML: 0.267 / SU R Cruickshank DPI: 0.359 / 交差検証法: THROUGHOUT / ESU R: 0.362 / ESU R Free: 0.299 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD 詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. The diffraction pattern of Netrin-1 crystals shows strong anisotropy. The resolution limits in direction a*/b* are 44.85 - 2.80 A and in ...詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. The diffraction pattern of Netrin-1 crystals shows strong anisotropy. The resolution limits in direction a*/b* are 44.85 - 2.80 A and in direction c* 44.85 - 2.64 A. Completeness of the dataset in the resolution range of INF - 2.80 A is 0.999, in the range of INF - 2.64 A it is 0.896. The Wilson B-factor calculated from the linear range of the data is 68.0 A**2. The ellipsoidal outer shell in the range of 2.90 - 2.80 A (a*/b*) and 2.74 - 2.64 A (c*) contains 2564 reflections, has a completeness of 1.0, a redundancy of 10.8, I/sigmaI of 2.0, Rmeas of 1.344, Rmerge of 1.280 and Rpim of 0.406. For refinement, an ellipsoidal trunction (limit of 2.80 A in a*/b*, limit of 2.50 A in c*), anisotropic scaling and a negative isotropic B-factor correction of 50% of the B-factor in direction of the lowest fall-off (c*) was applied according to the procedure described by M. Strong, M.R. Sawaya, S. Wang, M. Phillips, D. Cascio, D. Eisenberg, Proc Natl Acad Sci USA. 103, 8060-8-65, 2006. After above anisotropy correction and conversion to amplitudes, the completeness of the refinement dataset is as follows: INF - 2.80 A: 0.996, INF - 2.50 A: 0.807. The Wilson B-factor calculated from the linear range of data is 60.1 A**2.
Rfactor
反射数
%反射
Selection details
Rfree
0.288
1308
5.1 %
RANDOM
Rwork
0.23
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obs
0.233
24458
89.45 %
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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