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