6KEY

Structural basis for the regulation of inducible nitric oxide synthase (iNOS) by the SPRY domain-containing SOCS box protein 2 (SPSB2)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
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	40.240, 64.080, 70.730
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.000 - 1.240
R-factor	0.1853
Rwork	0.184
R-free	0.20430
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.808
Data reduction software	iMOSFLM
Data scaling software	Aimless (0.5.32)
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0230)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	64.080	64.080	1.260
High resolution limit [Å]	1.240	6.650	1.240
Rmerge	0.102	0.086	0.342
Rmeas	0.110	0.091	0.372
Rpim	0.040	0.031	0.141
Total number of observations	346278	3025	17630
Number of reflections	52182	370	2662
<I/σ(I)>	10	19.4	4.4
Completeness [%]	98.4	93.6	98.7
Redundancy	6.6	8.2	6.6
CC(1/2)	0.995	0.995	0.939

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.2M Sodium chloride, 0.1M BIS-TRIS pH5.5, 25% w/v Polyethylene glycol 3350