5SY5

Crystal Structure of the Heterodimeric NPAS1-ARNT Complex

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	2013-10-24
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979
Spacegroup name	P 1
Unit cell lengths	69.948, 81.187, 138.062
Unit cell angles	90.38, 95.08, 107.39

Refinement procedure

Resolution	38.926 - 3.201
R-factor	0.18
Rwork	0.176
R-free	0.24670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4zp4
RMSD bond length	0.011
RMSD bond angle	1.361
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	3.260
High resolution limit [Å]	3.200	8.670	3.200
Rmerge	0.055	0.026	0.764
Number of reflections	46508
<I/σ(I)>	9.5
Completeness [%]	98.6	94.6	98.3
Redundancy	2.1	2.1	2.2
CC(1/2)		0.993	0.459

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	289	2% Tacsimate pH 7.0, 3% PEG3350