5YY8

Crystal structure of the Kelch domain of human NS1-BP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-05-18
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979
Spacegroup name	P 32 2 1
Unit cell lengths	61.556, 61.556, 140.572
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.193 - 1.979
R-factor	0.1924
Rwork	0.189
R-free	0.23150
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	0.775
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	PHENIX ((1.12_2829))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.050
High resolution limit [Å]	1.979	1.979
Rmerge	0.084	0.419
Rmeas	0.086	0.431
Rpim	0.019	0.098
Number of reflections	41146	2037
<I/σ(I)>	20.64	7.74
Completeness [%]	98.9	93.58
Redundancy	20.9
CC(1/2)	0.999	0.974

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	289	0.2 M Ammonium citrate tribasic pH 7.0, 20% PEG 3350