6E3S

Crystal Structure of the Heterodimeric HIF-2 Complex with Antagonist PT2385

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	2015-11-25
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97929
Spacegroup name	P 1 21 1
Unit cell lengths	49.009, 97.895, 77.965
Unit cell angles	90.00, 107.43, 90.00

Refinement procedure

Resolution	48.948 - 3.000
R-factor	0.2139
Rwork	0.212
R-free	0.24910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4zp4
RMSD bond length	0.010
RMSD bond angle	1.257
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.950
High resolution limit [Å]	2.900	2.900
Rmerge	0.099	0.765
Number of reflections	14037
<I/σ(I)>	11.4
Completeness [%]	99.0
Redundancy	2.6

Crystallization Conditions

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