8W3B

TAS-120 covalent structure with FGFR2 molecular brake mutant

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	2021-10-01
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.11597
Spacegroup name	P 21 21 21
Unit cell lengths	81.315, 131.398, 134.111
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.010 - 2.230
R-factor	0.2917
Rwork	0.291
R-free	0.31220
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.902
Data reduction software	SAINT
Data scaling software	SADABS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	51.730	2.310
High resolution limit [Å]	2.230	2.230
Rmerge	0.195	1.412
Rmeas	0.203	1.467
Rpim	0.056	0.395
Number of reflections	70718	7002
<I/σ(I)>	7.1
Completeness [%]	100.0	100
Redundancy	13.3	13.7
CC(1/2)	0.998	0.751

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2	291	0.2 M Lithium sulfate, 0.1 M HEPES 7.2, 25 % v/v PEG Smear Broad