6WPP

HUMAN NIK IN COMPLEX WITH LIGAND COMPOUND X

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-02-03
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.00001049042
Spacegroup name	P 1 21 1
Unit cell lengths	60.483, 81.521, 78.420
Unit cell angles	90.00, 111.43, 90.00

Refinement procedure

Resolution	73.000 - 2.550
R-factor	0.2073
Rwork	0.205
R-free	0.25600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	NONE
RMSD bond length	0.007
RMSD bond angle	1.025
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	73.000	2.650
High resolution limit [Å]	2.550	2.550
Rmerge	0.068	0.496
Rmeas	0.080	0.360
Total number of observations	86810
Number of reflections	23150	92
<I/σ(I)>	17.11
Completeness [%]	99.3	99.4
Redundancy	3.7	3.8
CC(1/2)	0.998	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		278	25% PEG1500, pH 7