5SY7

Crystal Structure of the Heterodimeric NPAS3-ARNT Complex with HRE DNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2014-08-04
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979
Spacegroup name	P 43
Unit cell lengths	64.831, 64.831, 249.102
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.842 - 4.200
R-factor	0.2763
Rwork	0.272
R-free	0.36140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4zpk
RMSD bond length	0.004
RMSD bond angle	0.731
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	4.270
High resolution limit [Å]	4.200	11.360	4.200
Rmerge	0.060	0.045	0.848
Number of reflections	7195
<I/σ(I)>	7.5
Completeness [%]	94.6	93.2	72.3
Redundancy	5.2	5.1	3.9
CC(1/2)		0.982	0.893

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	289	100 mM NH4F, 9% PEG 3350