7Z2R

Differences between the GluD1 and GluD2 receptors revealed by GluD1 X-ray crystallography, binding studies and molecular dynamics

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX IV BEAMLINE BioMAX
Synchrotron site	MAX IV
Beamline	BioMAX
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-12-20
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.79
Spacegroup name	P 1 21 1
Unit cell lengths	33.310, 136.440, 54.610
Unit cell angles	90.00, 96.98, 90.00

Refinement procedure

Resolution	68.220 - 2.574
R-factor	0.2166
Rwork	0.215
R-free	0.25150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2v3t
RMSD bond length	0.002
RMSD bond angle	0.575
Data reduction software	TRUNCATE
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.10_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	68.220	68.220	2.640
High resolution limit [Å]	2.570	11.510	2.570
Rmerge	0.127	0.035	0.610
Rmeas	0.146	0.040	0.705
Total number of observations	60218
Number of reflections	15301	173	1109
<I/σ(I)>	8.73	25.36	2.11
Completeness [%]	99.8	98.9	100
Redundancy	3.936	3.555	3.95
CC(1/2)	0.993	0.998	0.727

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	24.4% PEG 4000, 0.1M ammonium sulfate, 0.1 cacodylate