8SWE

FGFR2 Kinase Domain Bound to Reversible Inhibitor Cmpd 3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-08-29
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.11584
Spacegroup name	P 21 21 2
Unit cell lengths	105.460, 117.130, 64.860
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	78.370 - 2.240
R-factor	0.2124
Rwork	0.211
R-free	0.24960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ri1
RMSD bond length	0.006
RMSD bond angle	0.716
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	78.370	2.340
High resolution limit [Å]	2.230	2.230
Number of reflections	38979	7553
<I/σ(I)>	5.3	1.25
Completeness [%]	99.9	99.9
Redundancy	6.7
CC(1/2)	0.995	0.750

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291.15	27 % PEG 4000, 0.1 M Hepes pH7.5, 0.252 M Ammonium Sulfate, 0.05 M GSH GSSG