8Z3H

Benzbromarone interferes with the interaction between Hsp90 and Aha1 by interacting with both of them

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	80
Detector technology	PIXEL
Collection date	2022-09-28
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.979145
Spacegroup name	I 2 2 2
Unit cell lengths	54.200, 66.340, 68.270
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.450 - 1.500
R-factor	0.18062
Rwork	0.179
R-free	0.21848
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.736
Data reduction software	xia2 (3.6.1)
Data scaling software	xia2 (3.6.1)
Phasing software	MOLREP (11.7.03)
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.450	1.554
High resolution limit [Å]	1.500	1.500
Number of reflections	19683	1875
<I/σ(I)>	17.71
Completeness [%]	97.9
Redundancy	2
CC(1/2)	0.998	0.955

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.1 M MIB pH 7.0, 25% PEG1500