4NH9

Correlation between chemotype-dependent binding conformations of HSP90 alpha/beta and isoform selectivity

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2010-10-06
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0000
Spacegroup name	C 2 2 21
Unit cell lengths	91.102, 101.194, 63.497
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.600 - 2.770
R-factor	0.2476
Rwork	0.245
R-free	0.27700
RMSD bond length	0.013
RMSD bond angle	1.460
Refinement software	BUSTER (2.11.5)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	63.500	2.799
High resolution limit [Å]	2.770	2.770
Rmerge		0.522
Number of reflections	7586
<I/σ(I)>		3.2
Completeness [%]	99.8	100
Redundancy		3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.6	293	25-30% PEG400, 50-200mM MgCl2, 100mM TRIS pH 7.6, VAPOR DIFFUSION, temperature 293K