7XI4

Crystal Structure of the NPAS4-ARNT heterodimer in complex with DNA

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	2019-06-26
Detector	SIEMENS-NICOLET
Wavelength(s)	0.97853
Spacegroup name	P 41 21 2
Unit cell lengths	105.243, 105.243, 215.126
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.630 - 4.707
R-factor	0.3155
Rwork	0.314
R-free	0.35060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4zpk
Data reduction software	HKL-3000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	4.780
High resolution limit [Å]	4.700	12.690	4.700
Rmerge	0.261	0.040	1.824
Rmeas	0.267	0.041	1.873
Rpim	0.054	0.009	0.410
Total number of observations	157818
Number of reflections	6762	404	327
<I/σ(I)>	2.4
Completeness [%]	99.9	100	99.4
Redundancy	23.3	19.4	19.7
CC(1/2)		0.999	0.655

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8	289	ammonium tartrate dibasic, PEG3350