3EKR

Dihydroxylphenyl amides as inhibitors of the Hsp90 molecular chaperone

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2005-07-01
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	45.735, 79.511, 118.013
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.190 - 2.000
R-factor	0.189
Rwork	0.187
R-free	0.22300
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	3eko
RMSD bond length	0.005
RMSD bond angle	0.900
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	CNX
Refinement software	CNX

Data quality characteristics

	Overall
Low resolution limit [Å]	20.000
High resolution limit [Å]	1.800
Rmerge	0.076
Number of reflections	38717
<I/σ(I)>	18.3
Completeness [%]	99.7
Redundancy	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.4	295	18 % Ethylene glycol, 0.1 M Phosphate-citrate pH 4.4, 10 mM TCEP, VAPOR DIFFUSION, HANGING DROP, temperature 295K