9MSU

Candida albicans Hsp90 nucleotide binding domain in complex with BX2819

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-06-12
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	P 43 2 2
Unit cell lengths	74.225, 74.225, 107.712
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.590 - 1.560
R-factor	0.1794
Rwork	0.178
R-free	0.19770
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.017
RMSD bond angle	1.443
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.590	1.600
High resolution limit [Å]	1.560	1.560
Rmerge	0.049	0.532
Number of reflections	43441	3007
<I/σ(I)>	18.2	2.72
Completeness [%]	99.5	98.72
Redundancy	6.9	6.1
CC(1/2)	0.998	0.866

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.1 M MES:NaOH, pH 6.5 10% w/v PEG4000