7OXE

Crystal structure of the KDEL receptor bound to HDEF 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	2020-10-06
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9999
Spacegroup name	P 1 21 1
Unit cell lengths	47.383, 37.533, 62.685
Unit cell angles	90.00, 95.22, 90.00

Refinement procedure

Resolution	39.410 - 2.283
R-factor	0.247
Rwork	0.245
R-free	0.28780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6zxr
RMSD bond length	0.009
RMSD bond angle	0.850
Data reduction software	DIALS
Data scaling software	xia2
Phasing software	PHASER
Refinement software	BUSTER (2.10.4 (20-APR-2021))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	62.280	62.300	2.350
High resolution limit [Å]	2.283	6.270	2.283
Rmeas	0.289	0.104
Rpim	0.159	0.060	0.774
Number of reflections	10122	521	489
<I/σ(I)>	5.1	18.5	0.9
Completeness [%]	99.3	98.7	100
Redundancy	3.1	2.9	3.2
CC(1/2)			0.300

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	6	292	30% PEG 600, 0.1M MES pH 6.0, 0.1M Sodium Nitrate