9MSX

Candida albicans Hsp90 nucleotide binding domain in complex with TAS116

This is a non-PDB format compatible entry.

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	2024-01-17
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	P 61
Unit cell lengths	47.907, 47.907, 342.687
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	57.110 - 2.500
R-factor	0.1847
Rwork	0.177
R-free	0.25740
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.274
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]	57.110	2.580
High resolution limit [Å]	2.500	2.500
Rmerge	0.193	1.387
Number of reflections	15296	1397
<I/σ(I)>	9.18	2.33
Completeness [%]	99.7	99.43
Redundancy	11.6	10.9
CC(1/2)	0.995	0.885

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1M Bis-Tris (pH6.5) and 20% w/v PEG5000 MME