6N3H

Crystal structure of Kelch domain of the human NS1 binding protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	93
Detector technology	CCD
Collection date	2015-06-19
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9795
Spacegroup name	P 1 21 1
Unit cell lengths	77.196, 61.885, 87.339
Unit cell angles	90.00, 95.18, 90.00

Refinement procedure

Resolution	43.491 - 2.600
R-factor	0.2118
Rwork	0.211
R-free	0.23450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2xn4
RMSD bond length	0.003
RMSD bond angle	0.776
Data reduction software	HKL-3000 (3.24)
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.640
High resolution limit [Å]	2.600	7.050	2.600
Rmerge	0.202	0.054
Rmeas	0.218	0.059
Rpim	0.085	0.022	0.467
Number of reflections	25558	1342	1244
<I/σ(I)>	5.4
Completeness [%]	99.9	99.8	99.4
Redundancy	6.9	6.9	5.9
CC(1/2)		0.998	0.680

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	0.1 M Tris pH 8.5, 3.0 M NaCl