9MT9

Candida albicans Hsp90 nucleotide binding domain in complex with BTB10184

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-05-25
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	P 43 2 2
Unit cell lengths	74.252, 74.252, 107.189
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.130 - 1.780
R-factor	0.1916
Rwork	0.190
R-free	0.21910
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.115
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.130	1.820
High resolution limit [Å]	1.780	1.780
Rmerge	0.080	1.120
Number of reflections	29446	2053
<I/σ(I)>	21.88	2.89
Completeness [%]	100.0	99.9
Redundancy	19.8	19.8
CC(1/2)	1.000	0.864

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.17 M ammonium acetate, 0.085 M sodium citrate:HCl pH 5.6, 25.5% w/v PEG4000, and 15% glycerol