6C1C
FGFR1 kinase complex with inhibitor SN37116
Experimental procedure
実験手法 | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
Synchrotron site | Australian Synchrotron |
Beamline | MX1 |
Temperature [K] | 110 |
Detector technology | CCD |
Collection date | 2014-12-05 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.95370 |
Spacegroup name | C 1 2 1 |
格子定数 [Å] | 213.293, 52.035, 66.045 |
格子定数 [度] | 90.00, 107.08, 90.00 |
精密化法
残基 | 19.510 - 2.150 |
R因子 | 0.228 |
Rwork | 0.226 |
R-free | 0.27000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4wun |
結合長の平均二乗偏差(RMSD) [Å] | 0.009 |
結合角の平均二乗偏差(RMSD) [度] | 1.344 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0049) |
Quality characteristics
Overall | Outer shell | |
分解能 [Å] (低) | 19.510 | 2.220 |
分解能 [Å] (高) | 2.150 | 2.150 |
Rmerge_l_obs | 0.087 | |
Rpim | 0.034 | 0.494 |
独立反射数 | 37994 | 3287 |
<I/σ(I)> | 19.8 | 1.7 |
完全性 [%] | 99.9 | 100 |
冗長性 | 7.5 | 7.5 |
CC(1/2) | 0.999 | 0.764 |
結晶化条件
結晶ID | 方法 | pH | 温度 | 溶液条件 |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | 20% MPEG 5000, 0.1 M sodium cacodylate pH 7.5, 0.2 M ammonium sulfate |