9MSV

Candida albicans Hsp90 nucleotide binding domain in complex with BEP800

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	2023-05-28
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	P 43 2 2
Unit cell lengths	73.915, 73.915, 108.003
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.050 - 2.070
R-factor	0.1866
Rwork	0.182
R-free	0.22640
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.186
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]	47.050	2.100
High resolution limit [Å]	2.070	2.070
Rmerge	0.072	0.616
Number of reflections	18910	1445
<I/σ(I)>	27.09	5.74
Completeness [%]	100.0	100
Redundancy	19.5	20.4
CC(1/2)	1.000	0.951

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