7K9S

Cryptococcus neoformans Hsp90 nucleotide binding domain in complex with NVP-AUY922

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-09-24
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.9202
Spacegroup name	P 1 21 1
Unit cell lengths	51.639, 78.450, 188.105
Unit cell angles	90.00, 95.74, 90.00

Refinement procedure

Resolution	18.210 - 3.210
R-factor	0.2143
Rwork	0.212
R-free	0.25120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6cji
RMSD bond length	0.005
RMSD bond angle	0.740
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	18.210	3.240
High resolution limit [Å]	3.210	3.210
Rmerge		0.323
Number of reflections	24421	2323
<I/σ(I)>	6.04
Completeness [%]	98.7	96.43
Redundancy	5.2	4.8
CC(1/2)	0.996	0.650

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	1M LiCl, Hepes pH 7, 20-25% PEG 6K, 10-20% DMSO