6X21

Crystal structure of PT1673 bound to HIF2a-B*:ARNT-B* 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	2012-10-21
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9715
Spacegroup name	C 1 2 1
Unit cell lengths	73.793, 83.504, 41.373
Unit cell angles	90.00, 106.78, 90.00

Refinement procedure

Resolution	26.970 - 1.540
R-factor	0.206
Rwork	0.205
R-free	0.23270
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6d0c
RMSD bond length	0.025
RMSD bond angle	2.398
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.570
High resolution limit [Å]	1.460	3.960	1.540
Rmerge	0.058	0.026	0.939
Total number of observations	134679
Number of reflections	38676	2057	1891
<I/σ(I)>	11.2
Completeness [%]	92.8	96.3	91.2
Redundancy	3.5	3.6	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.4	293	Bis-Tris, pH5.4, 16% PEG3350