5L87
Targeting the PEX14-PEX5 interaction by small molecules provides novel therapeutic routes to treat trypanosomiases.
Experimental procedure
実験手法 | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 90 |
Detector technology | PIXEL |
Collection date | 2013-10-27 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.87260 |
Spacegroup name | C 1 2 1 |
格子定数 [Å] | 43.030, 37.260, 42.460 |
格子定数 [度] | 90.00, 117.89, 90.00 |
精密化法
残基 | 37.530 - 0.870 |
R因子 | 0.13014 |
Rwork | 0.129 |
R-free | 0.14538 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ff5 |
結合長の平均二乗偏差(RMSD) [Å] | 0.032 |
結合角の平均二乗偏差(RMSD) [度] | 2.391 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.7.0032) |
Quality characteristics
Overall | |
分解能 [Å] (低) | 90.000 |
分解能 [Å] (高) | 0.860 |
独立反射数 | 203174 |
<I/σ(I)> | 18.23 |
完全性 [%] | 95.6 |
冗長性 | 4.2 |
結晶化条件
結晶ID | 方法 | pH | 温度 | 溶液条件 |
1 | VAPOR DIFFUSION, SITTING DROP | 290 | 0.1 SPG Buffer pH 9.0 25% PEG 1500 |