6LVK

Crystal structure of FGFR2 in complex with 1,3,5-triazine derivative

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	95
Detector technology	IMAGE PLATE
Collection date	2010-08-30
Detector	RIGAKU RAXIS VII
Wavelength(s)	1.5418
Spacegroup name	P 2 21 21
Unit cell lengths	64.272, 105.571, 116.260
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.060 - 2.290
R-factor	0.2056
Rwork	0.203
R-free	0.24700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3b2t
RMSD bond length	0.010
RMSD bond angle	1.735
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0253)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.060	48.060	2.370
High resolution limit [Å]	2.290	8.870	2.290
Rmerge	0.078	0.025	0.442
Rmeas	0.091	0.030	0.519
Rpim	0.047	0.017	0.269
Total number of observations		2008	12513
Number of reflections	36222	649	3485
<I/σ(I)>	9.7	24.3	2.3
Completeness [%]	99.7	92	99.7
Redundancy	3.6	3.1	3.6
CC(1/2)	0.997	0.998	0.822

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	296	Tris, Ammonium sulfate, PEG 8000