4HY6

Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ1

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	2012-02-12
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9791
Spacegroup name	I 2 2 2
Unit cell lengths	67.061, 91.034, 99.177
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.531 - 1.649
R-factor	0.2005
Rwork	0.200
R-free	0.21630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3t10
RMSD bond length	0.006
RMSD bond angle	1.034
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]	33.531
High resolution limit [Å]	1.649
Rmerge	0.058
Number of reflections	36879
<I/σ(I)>	39.085
Completeness [%]	99.7
Redundancy	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1