6IQN

Crystal structure of TrkA kinase with ligand

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-11-04
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	P 41 21 2
Unit cell lengths	90.838, 90.838, 197.107
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	66.790 - 2.540
R-factor	0.22793
Rwork	0.225
R-free	0.28737
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5h3q
RMSD bond length	0.020
RMSD bond angle	1.948
Data reduction software	xia2
Data scaling software	xia2
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	66.870	66.870	2.610
High resolution limit [Å]	2.540	11.360	2.540
Rmerge	0.348	0.052	2.872
Rmeas	0.363	0.055	3.029
Rpim	0.103	0.017	0.951
Number of reflections	28231	397	2045
<I/σ(I)>	7
Completeness [%]	100.0	99.4	99.9
Redundancy	12.1	10	9.8
CC(1/2)	0.994	0.998	0.563

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.1M MES pH6.5, 18% PEG 8000