9CD7

FGFR3 Kinase Domain with Inhibitor TYRA-300

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-05-16
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	1
Spacegroup name	C 1 2 1
Unit cell lengths	180.686, 55.588, 138.668
Unit cell angles	90.00, 127.45, 90.00

Refinement procedure

Resolution	40.003 - 2.530
Rwork	0.229
R-free	0.26710
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	1.037
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.170	2.640
High resolution limit [Å]	2.530	2.530
Rmerge	0.443	3.534
Rmeas	0.480	3.817
Rpim	0.183	1.428
Total number of observations	249415	31050
Number of reflections	36870	4446
<I/σ(I)>	4.7	0.6
Completeness [%]	99.8
Redundancy	6.8	7
CC(1/2)	0.966	0.210

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.25	291	17% PEG Smear Medium 10% Tacsimate pH 5.25 0.2M Ammonium Sulfate