7DHL

Crystal structure of FGFR3 in complex with pyrimidine derivative

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	90
Detector technology	IMAGE PLATE
Collection date	2010-12-10
Detector	RIGAKU RAXIS VII
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	48.140, 61.400, 59.895
Unit cell angles	90.00, 112.88, 90.00

Refinement procedure

Resolution	44.350 - 2.570
R-factor	0.1965
Rwork	0.193
R-free	0.25350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2psq
RMSD bond length	0.005
RMSD bond angle	1.375
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.350	44.350	2.680
High resolution limit [Å]	2.570	8.900	2.570
Rmerge	0.058	0.024	0.454
Rmeas	0.068	0.029	0.530
Rpim	0.035	0.016	0.272
Total number of observations	38332	825	4743
Number of reflections	10336	248	1276
<I/σ(I)>	11.8	28.4	2.2
Completeness [%]	99.6	92.4	99.4
Redundancy	3.7	3.3	3.7
CC(1/2)	0.999	0.999	0.882

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	293	Citric Acid, Ammonium dihydrogen phosphate, PEG 3350