5MR4

Ligand-receptor complex.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-09-11
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.985
Spacegroup name	P 1 21 1
Unit cell lengths	77.810, 125.811, 82.722
Unit cell angles	90.00, 101.93, 90.00

Refinement procedure

Resolution	49.670 - 2.400
R-factor	0.19633
Rwork	0.195
R-free	0.22002
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5mr5 5mr9
RMSD bond length	0.013
RMSD bond angle	1.387
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	55.800	2.530
High resolution limit [Å]	2.400	2.400
Rmerge	0.098	0.750
Number of reflections	60705
<I/σ(I)>	9.4
Completeness [%]	99.7
Redundancy	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	293	8% Tacsimate, 8% PEG MME 5000 and 0.1 M HEPES pH 7.5.