4LWF

Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ3

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	65.463, 88.709, 99.752
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.459 - 1.750
R-factor	0.1879
Rwork	0.186
R-free	0.20880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3t0z
RMSD bond length	0.006
RMSD bond angle	1.028
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]	34.459
High resolution limit [Å]	1.750
Rmerge	0.061
Number of reflections	29590
<I/σ(I)>	48.65
Completeness [%]	99.8
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