5Z82

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)	0.97857
Spacegroup name	I 2 2 2
Unit cell lengths	73.980, 84.040, 90.550
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.090 - 1.694
R-factor	0.1955
Rwork	0.194
R-free	0.22050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5cbk
RMSD bond length	0.007
RMSD bond angle	0.791
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX ((1.11.1_2575))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.280	1.760
High resolution limit [Å]	1.690	1.700
Number of reflections	60066
<I/σ(I)>	12.05
Completeness [%]	99.8
Redundancy	9.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	298	PEG 4000, Magnesium Chloride, Tris-HCl pH 8.5