5XR5

Crystal structure of Human Hsp90 with FS4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-01-03
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97930
Spacegroup name	I 2 2 2
Unit cell lengths	66.969, 90.714, 97.725
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.484 - 1.600
R-factor	0.1905
Rwork	0.189
R-free	0.21760
RMSD bond length	0.006
RMSD bond angle	1.105
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.6.2_432)

Data quality characteristics

	Overall
Low resolution limit [Å]	33.484
High resolution limit [Å]	1.600
Number of reflections	39951
<I/σ(I)>	4.5
Completeness [%]	99.9
Redundancy	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	15~20% PEG 3350, 5mM magnesium chloride, 500mM ammonium phosphate, 100mM Bis-Tris pH 6.5