4ZPH

Crystal Structure of the Heterodimeric HIF-2a:ARNT Complex with Proflavine

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	2014-12-15
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97929
Spacegroup name	P 1
Unit cell lengths	48.896, 76.418, 98.345
Unit cell angles	89.83, 89.64, 73.21

Refinement procedure

Resolution	49.172 - 2.800
R-factor	0.189
Rwork	0.185
R-free	0.22060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4zp4
RMSD bond length	0.010
RMSD bond angle	1.525
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.850
High resolution limit [Å]	2.800	7.590	2.800
Rmerge	0.054	0.026	0.693
Rmeas	0.069	0.033	0.908
Rpim	0.042	0.020	0.580
Total number of observations	79567
Number of reflections	33408
<I/σ(I)>	10.7
Completeness [%]	98.5	97.2	97.6
Redundancy	2.4	2.4	2.2
CC(1/2)		0.985	0.490

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	289	2% Tacsimate, pH 7.0, 6% PEG3350