6Y7V

Crystal structure of the KDEL receptor bound to HDEL peptide at pH 6.0

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	2018-07-28
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.969
Spacegroup name	P 1 21 1
Unit cell lengths	47.620, 37.820, 62.420
Unit cell angles	90.00, 95.18, 90.00

Refinement procedure

Resolution	36.160 - 2.241
R-factor	0.2393
Rwork	0.237
R-free	0.27540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6i6h
RMSD bond length	0.009
RMSD bond angle	0.860
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.820	2.270
High resolution limit [Å]	2.240	2.240
Rmerge	0.098	0.760
Rmeas	0.160
Rpim	0.097	0.570
Number of reflections	10570	407
<I/σ(I)>	6.9	1.6
Completeness [%]	97.1
Redundancy	3.1
CC(1/2)	0.988	0.980

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	6	292	30% (v/v) PEG 600, 100 mM MES pH 6.0, 100 mM Sodium Nitrate.