8EQD

Co-crystal structure of PERK with compound 24

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-11
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0332
Spacegroup name	P 32 2 1
Unit cell lengths	125.900, 125.900, 55.216
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.510 - 2.920
Rwork	0.246
R-free	0.27960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4x7j
RMSD bond length	0.002
RMSD bond angle	1.210
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.510	2.970
High resolution limit [Å]	2.920	2.920
Rmerge	0.097	0.794
Number of reflections	10640	510
<I/σ(I)>	9.5
Completeness [%]	95.3
Redundancy	6.7
CC(1/2)	0.997	0.817

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	100 mM HEPES pH 7.0, 180 mM Na/K tartrate, 9% PEG3350