5UR1

FGFR1 kinase domain complex with SN37333 in reversible binding mode

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-08-24
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.9537
Spacegroup name	C 1 2 1
Unit cell lengths	213.050, 51.783, 66.070
Unit cell angles	90.00, 106.87, 90.00

Refinement procedure

Resolution	19.540 - 2.200
R-factor	0.2296
Rwork	0.227
R-free	0.27658
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4wun
RMSD bond length	0.009
RMSD bond angle	1.383
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.540	2.270
High resolution limit [Å]	2.200	2.200
Rmerge	0.154
Rpim	0.041	0.349
Number of reflections	35322	3248
<I/σ(I)>	18.4	2.4
Completeness [%]	99.8	100
Redundancy	14.9	15
CC(1/2)	0.999	0.736

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	20% MPEG 5000, 0.1 M sodium cacodylate pH 7.5, 0.2 M ammonium sulfate