8QEL

PKR kinase domain- eIF2alpha in complex with compound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-05-10
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.98011
Spacegroup name	P 32 2 1
Unit cell lengths	85.028, 85.028, 168.940
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	73.640 - 2.451
R-factor	0.2431
Rwork	0.241
R-free	0.27800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.920
Data reduction software	autoPROC
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	BUSTER (2.11.8 (8-JUN-2022))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	73.600	2.658
High resolution limit [Å]	2.451	2.451
Number of reflections	234631	10241
<I/σ(I)>	17.4
Completeness [%]	89.2
Redundancy	12.2
CC(1/2)	0.990	0.673

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M MOPS pH 7.5, 10% PEG 8000, 0.2 M magnesium acetate