5CF0

Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ6

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
Collection date	2011-08-06
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9792
Spacegroup name	I 2 2 2
Unit cell lengths	70.267, 88.300, 96.993
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.370 - 1.800
R-factor	0.1973
Rwork	0.195
R-free	0.22210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3t0z
RMSD bond length	0.006
RMSD bond angle	1.005
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.6.2_432)

Data quality characteristics

	Overall
Low resolution limit [Å]	36.370
High resolution limit [Å]	1.700
Number of reflections	33536
<I/σ(I)>	36.4
Completeness [%]	94.2
Redundancy	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	277	100 mM Tris-HCl, 20% PEG 4000, 200 mM MgCl2