9MSQ

Candida albicans Hsp90 nucleotide binding domain in complex with HSP990

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
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	73.758, 73.758, 107.014
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.350 - 2.530
R-factor	0.2166
Rwork	0.211
R-free	0.26630
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	1.555
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.350	2.660
High resolution limit [Å]	2.530	2.530
Rmerge	0.088	0.621
Number of reflections	10390	1437
<I/σ(I)>	21.66	4.83
Completeness [%]	100.0	99.93
Redundancy	19.4	19.1
CC(1/2)	0.999	0.955

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