36HB

Crystal Structure of De Novo Protein Inhibitor of eEF2K

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-06-24
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	1.0332
Spacegroup name	P 65 2 2
Unit cell lengths	86.970, 86.970, 221.580
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.625 - 2.492
Rwork	0.199
R-free	0.27590
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.027
RMSD bond angle	3.990
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0430 (refmacat 0.4.105))

Data quality characteristics

	Overall
Low resolution limit [Å]	44.630
High resolution limit [Å]	2.490
Number of reflections	18127
<I/σ(I)>	14.7
Completeness [%]	99.5
Redundancy	4.1
CC(1/2)	0.830

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	60 % tacsimate