5XRE

Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor JX1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2017-03-02
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97892
Spacegroup name	I 2 2 2
Unit cell lengths	67.146, 90.184, 97.790
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.202 - 1.497
R-factor	0.1825
Rwork	0.182
R-free	0.19560
RMSD bond length	0.006
RMSD bond angle	1.156
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.6.4_486)

Data quality characteristics

	Overall
Low resolution limit [Å]	36.202
High resolution limit [Å]	1.497
Number of reflections	47955
<I/σ(I)>	52.475
Completeness [%]	100.0
Redundancy	14.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	20%-25%(w/v) PEG 2000 monomethyl ether, 200mM magnesium chloride, 100mM sodium cacodylate, pH 6.5