9I64

Crystal structure of Casdatifan bound to HIF2a-B*:ARNT-B* complex

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-04-14
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.999858
Spacegroup name	P 21 21 21
Unit cell lengths	52.693, 61.150, 91.320
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.702 - 1.558
Rwork	0.191
R-free	0.21400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	1.167
Phasing software	PHASER
Refinement software	REFMAC (5.8.0430)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.760	1.585
High resolution limit [Å]	1.558	1.558
Number of reflections	42717	2112
<I/σ(I)>	13.9
Completeness [%]	99.6
Redundancy	8.1
CC(1/2)	0.999	0.695

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	0.10 M Sodium Acetate, 1.25 M Sodium Fluoride