8F5X

Crystal structure of human eosinophil-derived neurotoxin (EDN, ribonuclease 2) in complex with 5'-adenosine monophosphate (AMP)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08B1-1
Synchrotron site	CLSI
Beamline	08B1-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-09-23
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.5215
Spacegroup name	P 21 21 21
Unit cell lengths	41.780, 52.450, 56.360
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.400 - 1.700
R-factor	0.1799
Rwork	0.178
R-free	0.19680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1gqv
RMSD bond length	0.014
RMSD bond angle	1.604
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.19.1-4122)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	38.410	38.410	1.760
High resolution limit [Å]	1.700	3.660	1.700
Rmerge	0.046	0.031	1.522
Rmeas	0.048	0.032	1.598
Rpim	0.014	0.009	0.477
Number of reflections	13857	1522	1326
<I/σ(I)>	30.8	56.1	2.2
Completeness [%]	97.8	99.9	95.4
Redundancy	11.2	11.8	11.2
CC(1/2)	0.999	0.999	0.945

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	1.2M succinic acid, 0.1M Hepes pH 7.0, 1% MME PEG 2000