4LWG

Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 315r
Spacegroup name	I 2 2 2
Unit cell lengths	64.862, 87.858, 99.897
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.987 - 1.599
R-factor	0.1794
Rwork	0.178
R-free	0.21000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3t0z
RMSD bond length	0.005
RMSD bond angle	0.918
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.6.2_432))

Data quality characteristics

	Overall
Low resolution limit [Å]	32.987
High resolution limit [Å]	1.599
Rmerge	0.065
Number of reflections	38053
<I/σ(I)>	50.746
Completeness [%]	98.9
Redundancy	7.3

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, VAPOR DIFFUSION, HANGING DROP, temperature 277K