7K9W

Cryptococcus neoformans Hsp90 nucleotide binding domain in complex with BUCMD00461

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	2020-02-28
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97932
Spacegroup name	C 1 2 1
Unit cell lengths	145.503, 44.953, 77.542
Unit cell angles	90.00, 103.62, 90.00

Refinement procedure

Resolution	29.480 - 2.130
R-factor	0.1906
Rwork	0.190
R-free	0.21160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6cji
RMSD bond length	0.006
RMSD bond angle	0.813
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]	29.480	2.190
High resolution limit [Å]	2.130	2.130
Rmerge	0.032	0.871
Rmeas	0.045
Number of reflections	27266	1770
<I/σ(I)>	9.47	1.3
Completeness [%]	99.1	88.7
Redundancy	6.6	5.8
CC(1/2)	0.999	0.791

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	1 M LiCl, 0.1 M Hepes or Cacodylate, 6.5 to 7, 20-25% PEG 6K, 10-20% DMSO