5XRD

Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FS7

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	2017-03-03
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97892
Spacegroup name	I 2 2 2
Unit cell lengths	65.634, 88.846, 99.940
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.524 - 1.300
R-factor	0.1747
Rwork	0.174
R-free	0.18560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3t0z
RMSD bond length	0.006
RMSD bond angle	1.083
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.6.2_432)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.524	1.350
High resolution limit [Å]	1.300	1.300
Number of reflections	71880	6364
<I/σ(I)>	60.219
Completeness [%]	99.8
Redundancy	14.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	15~20% PEG 3350, 5mM magnesium chloride, 500mM ammonium phosphate, 100mM Bis-Tris pH 6.5