4LWH

Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ5

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	66.417, 89.334, 99.813
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.283 - 1.700
R-factor	0.1938
Rwork	0.193
R-free	0.20400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3t0z
RMSD bond length	0.006
RMSD bond angle	1.064
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]	33.283
High resolution limit [Å]	1.700
Rmerge	0.055
Number of reflections	33011
<I/σ(I)>	37.549
Completeness [%]	99.7
Redundancy	7.2

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