8YTD

Crystal Structure of TrkA D5 domain in complex with two different macrocyclic peptides

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	2020-05-20
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54178
Spacegroup name	P 43 21 2
Unit cell lengths	50.374, 50.374, 143.959
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.550 - 2.340
R-factor	0.2212
Rwork	0.218
R-free	0.27596
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.369
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	2.420
High resolution limit [Å]	2.340	5.040	2.340
Rmerge	0.044	0.033	0.351
Rmeas	0.047	0.037	0.372
Rpim	0.016	0.014	0.121
Total number of observations	78245
Number of reflections	8455	952	802
<I/σ(I)>	20.2
Completeness [%]	99.8	98.8	99.4
Redundancy	9.3	8.4	9.1
CC(1/2)	0.978	0.955	0.966

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		277	25% v/v ethylene glycol