1OSF

Human Hsp90 in complex with 17-desmethoxy-17-N,N-Dimethylaminoethylamino-Geldanamycin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	105
Detector technology	IMAGE PLATE
Detector	MARRESEARCH
Spacegroup name	P 1 21 1
Unit cell lengths	47.710, 41.680, 55.980
Unit cell angles	90.00, 102.81, 90.00

Refinement procedure

Resolution	10.000 - 1.750
R-factor	0.184
Rwork	0.184
R-free	0.21900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005 *
RMSD bond angle	1.300 *
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	10.000 *
High resolution limit [Å]	1.750 *
Rmerge	0.065 *	0.317 *
Total number of observations	97350 *
Number of reflections	21560
Completeness [%]	99.2 *	97.9 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5 *	5 *	VAPOR DIFFUSION, HANGING DROP

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	17-DMAG	2.1 (mM)
2	1	drop	HEPES	25 (mM)	pH7.5
3	1	drop		100 (mM)
4	1	drop	protein	24 (mg/ml)
5	1	reservoir	MPD	5-10 (%(v/v))
6	1	reservoir		20 (mM)
7	1	reservoir	sodium acetate	100 (mM)	pH4.5