4WUY
Crystal Structure of Protein Lysine Methyltransferase SMYD2 in complex with LLY-507, a Cell-Active, Potent and Selective Inhibitor
Experimental procedure
実験手法 | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 31-ID |
Synchrotron site | APS |
Beamline | 31-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-06-02 |
Detector | RAYONIX MX-225 |
Wavelength(s) | 0.9793 |
Spacegroup name | P 21 21 2 |
格子定数 [Å] | 89.025, 99.920, 60.297 |
格子定数 [度] | 90.00, 90.00, 90.00 |
精密化法
残基 | 19.700 - 1.630 |
R因子 | 0.1536 |
Rwork | 0.151 |
R-free | 0.20013 |
結合長の平均二乗偏差(RMSD) [Å] | 0.005 |
結合角の平均二乗偏差(RMSD) [度] | 1.004 |
Refinement software | REFMAC (5.8.0049) |
Quality characteristics
Overall | |
分解能 [Å] (低) | 19.700 |
分解能 [Å] (高) | 1.630 |
独立反射数 | 66084 |
<I/σ(I)> | 9.3 |
完全性 [%] | 97.8 |
冗長性 | 7.5 |
結晶化条件
結晶ID | 方法 | pH | 温度 | 溶液条件 |
1 | VAPOR DIFFUSION, SITTING DROP | 9 | 281 | 100 mM Tris HCl pH 8.6, 14% PEG 20K and 200 mM Sodium Chloride |