9MTB

Candida albicans Hsp90 nucleotide binding domain in complex with AMPPNP

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	2023-05-23
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	P 43 2 2
Unit cell lengths	74.162, 74.162, 107.610
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.700 - 2.530
R-factor	0.2121
Rwork	0.206
R-free	0.26930
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.494
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]	31.700	2.640
High resolution limit [Å]	2.530	2.530
Rmerge	0.105	0.564
Number of reflections	10547	1286
<I/σ(I)>	15.68	4.63
Completeness [%]	99.9	99.64
Redundancy	14.3	15
CC(1/2)	0.997	0.934

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