9D9G

Candida albicans Hsp90 nucleotide binding domain in complex with BRI2312

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	RIGAKU MICROMAX-003
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-05-05
Detector	DECTRIS EIGER R 1M
Wavelength(s)	1.542
Spacegroup name	P 43 2 2
Unit cell lengths	74.054, 74.054, 107.513
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.893 - 1.680
Rwork	0.162
R-free	0.18290
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.973
Data reduction software	CrysalisPro
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0430 (refmacat 0.4.82))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	26.893	1.710
High resolution limit [Å]	1.680	1.680
Rmerge	0.050	0.802
Rmeas	0.052	0.979
Rpim	0.015	0.545
Total number of observations		4304
Number of reflections	34705	1625
<I/σ(I)>	30.6	1.2
Completeness [%]	99.6
Redundancy	11.2	2.6
CC(1/2)	0.999	0.567

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	18% PEG6000, 0.1M Cacodylates pH 6.9, 0.2 M Mg Acetate, 20% glycerol