7XI3

Crystal Structure of the NPAS4-ARNT2 heterodimer in complex with DNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL10U2
Synchrotron site	SSRF
Beamline	BL10U2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-07-18
Detector	SIEMENS-NICOLET
Wavelength(s)	0.979183
Spacegroup name	P 43 21 2
Unit cell lengths	72.773, 72.773, 415.269
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.969 - 4.274
R-factor	0.2523
Rwork	0.249
R-free	0.31460
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	4.370
High resolution limit [Å]	4.274	11.630	4.300
Rmerge	0.181	0.054	0.679
Rmeas	0.192	0.059	0.737
Rpim	0.062	0.024	0.277
Number of reflections	8463	516	380
<I/σ(I)>	4.1
Completeness [%]	99.0	97.5	95
Redundancy	9.3	6.7	5.9
CC(1/2)		0.994	0.823

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8	289	sodium citrate tribasic, PEG3350