5Z89

Structural basis for specific inhibition of highly sensitive ShHTL7 receptor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-07-02
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.97857
Spacegroup name	P 65
Unit cell lengths	92.570, 92.570, 80.190
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	80.170 - 1.420
R-factor	0.10169
Rwork	0.101
R-free	0.12006
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5cbk
RMSD bond length	0.016
RMSD bond angle	1.753
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	80.170	1.470
High resolution limit [Å]	1.420	1.420
Number of reflections	69210
<I/σ(I)>	30.4
Completeness [%]	99.7
Redundancy	14.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	1M Lithium Sulfate, 0.1M HEPES pH 7.5