5Z95

Structural basis for specific inhibition of highly sensitive ShHTL7 receptor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-01-27
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9789
Spacegroup name	P 65
Unit cell lengths	92.590, 92.590, 80.260
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	80.190 - 1.200
R-factor	0.12965
Rwork	0.129
R-free	0.14340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5cbk
RMSD bond length	0.013
RMSD bond angle	1.685
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	80.190	1.240
High resolution limit [Å]	1.200	1.200
Number of reflections	115730
<I/σ(I)>	24.56
Completeness [%]	100.0
Redundancy	9.9

Crystallization Conditions

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