6JWM

Crystal structure of the SPRY domain of SPSB2 in complex with cR7, a potent cyclic peptide inhibitor of SPSB2-iNOS interaction

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NFPSS BEAMLINE BL19U1
Synchrotron site	NFPSS
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-07-18
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9778
Spacegroup name	P 21 21 21
Unit cell lengths	40.060, 63.970, 68.840
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.860 - 1.230
R-factor	0.17805
Rwork	0.177
R-free	0.20018
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	1.761
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0230)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	63.970	1.260
High resolution limit [Å]	1.230	1.240
Number of reflections	51393
<I/σ(I)>	14.4
Completeness [%]	99.8
Redundancy	8.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	6.5	293	0.2 M Sodium chloride, 0.1 M BIS-TRIS pH6.5, 25% w/v Polyethylene glycol 3350