3T0H

Structure insights into mechanisms of ATP hydrolysis and the activation of human Hsp90

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	200
Detector technology	CCD
Collection date	2010-12-17
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97931
Spacegroup name	I 2 2 2
Unit cell lengths	65.287, 88.934, 99.672
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.179 - 1.200
R-factor	0.151
Rwork	0.150
R-free	0.17080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2xdl
RMSD bond length	0.010
RMSD bond angle	1.366
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX (1.7_650)
Refinement software	PHENIX ((phenix.refine: 1.7_650))

Data quality characteristics

	Overall
Low resolution limit [Å]	34.483
High resolution limit [Å]	1.200
Rmerge	0.065
Number of reflections	89825
<I/σ(I)>	44.474
Completeness [%]	99.0
Redundancy	13.3

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