6CJR

Candida albicans Hsp90 nucleotide binding domain in complex with SNX-2112

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	120
Detector technology	PIXEL
Collection date	2017-11-18
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.03319
Spacegroup name	P 43
Unit cell lengths	73.633, 73.633, 109.186
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.300 - 1.800
Rwork	0.173
R-free	0.22030
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6cji
Data reduction software	XDS
Data scaling software	XDS
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.860
High resolution limit [Å]	1.790	1.790
Rmerge	0.078
Number of reflections	53380	4969
<I/σ(I)>	15.36	1.38
Completeness [%]	99.1	92.81
Redundancy	6.7	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298.15	0.1M Bis-Tris 0.2M MgCl2 25% PEG 3350