8APY

Crystal structure of the H12A variant of the KDEL receptor bound to sybody

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-06-22
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9686
Spacegroup name	P 21 21 21
Unit cell lengths	45.190, 71.090, 133.030
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.790 - 2.340
R-factor	0.2711
Rwork	0.268
R-free	0.32870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6i6j
RMSD bond length	0.007
RMSD bond angle	1.130
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.790	2.400
High resolution limit [Å]	2.340	2.340
Rmerge	0.144	1.900
Rpim	0.094	1.218
Number of reflections	18726	1371
<I/σ(I)>	9.4	1
Completeness [%]	99.6	99.9
Redundancy	6.2
CC(1/2)	0.997	0.406

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE		293	30% v/v PEG 400 0.1 M Tris pH 8.0.