5Z0S

Crystal structure of FGFR1 kinase domain in complex with a novel inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2013-07-10
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97946
Spacegroup name	C 1 2 1
Unit cell lengths	210.130, 57.980, 65.360
Unit cell angles	90.00, 107.38, 90.00

Refinement procedure

Resolution	43.799 - 2.450
R-factor	0.2266
Rwork	0.225
R-free	0.27470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4zsa
RMSD bond length	0.009
RMSD bond angle	1.018
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.799	43.799	2.510
High resolution limit [Å]	2.450	10.960	2.450
Rmerge	0.104	0.075	0.446
Rmeas	0.143	0.106	0.606
Total number of observations	95745
Number of reflections	49913	492	3909
<I/σ(I)>	6.11	9.83	2.36
Completeness [%]	92.1	83.2	96
Redundancy	1.918	1.691	1.954
CC(1/2)	0.977	0.962	0.774

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	277	0.1M Bis-Tris pH 6.5, 0.3M (NH4)2SO4, 15-20% PEG10000, 5% EG