6CJS

Candida albicans Hsp90 nucleotide binding domain in complex with AUY922

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	I 41 2 2
Unit cell lengths	86.210, 86.210, 225.846
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.100 - 1.900
Rwork	0.167
R-free	0.19340
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]	43.100	1.960
High resolution limit [Å]	1.890	1.890
Rmerge	0.081
Number of reflections	34601	3371
<I/σ(I)>	16.9	1.2
Completeness [%]	99.9	99.6
Redundancy	12.9	12.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298.15	0.1M Hepes 0.02M MgCl2 22% Polyacrylic acid sodium salt 5100