5Z8P

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	2017-01-21
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.987
Spacegroup name	P 65
Unit cell lengths	92.590, 92.590, 80.360
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.090 - 1.350
R-factor	0.12913
Rwork	0.128
R-free	0.14379
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5cbk
RMSD bond length	0.009
RMSD bond angle	1.398
Data reduction software	PROTEUM PLUS
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0210)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.090	1.398
High resolution limit [Å]	1.350	1.350
Number of reflections	85478
<I/σ(I)>	23.12
Completeness [%]	99.6
Redundancy	9.1
CC(1/2)	0.999	0.575

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	0.1 M MES monohydrate pH 6.5, 1.6 M Magnesium sulfate heptahydrate