8YTE

Crystal Structure of TrkA D5 domain in complex with macrocyclic peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2018-12-17
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54178
Spacegroup name	P 21 21 21
Unit cell lengths	51.680, 66.972, 79.889
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.260
R-factor	0.19891
Rwork	0.197
R-free	0.24947
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1wwa
RMSD bond length	0.007
RMSD bond angle	1.235
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0218)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.340
High resolution limit [Å]	2.260	4.870	2.260
Rmerge	0.055	0.029	0.302
Rmeas	0.061	0.033	0.340
Rpim	0.027	0.015	0.154
Total number of observations	67505
Number of reflections	13490	1471	1328
<I/σ(I)>	12.7
Completeness [%]	100.0	99.8	100
Redundancy	5	4.8	4.7
CC(1/2)	0.998	0.996	0.927

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	0.1 M Tris pH 8.5, , 25% w/v Polyethylene glycol 3,350, 0.2 M ammonium acetate