2YK2

Tricyclic series of Hsp90 inhibitors

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2010-01-06
Detector	MARRESEARCH
Spacegroup name	I 2 2 2
Unit cell lengths	66.608, 99.103, 90.873
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	14.850 - 1.740
R-factor	0.183
Rwork	0.181
R-free	0.21110
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.010
Phasing software	AMoRE
Refinement software	BUSTER (2.9.7)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	14.850	1.800
High resolution limit [Å]	1.740	1.740
Rmerge	0.070	0.380
Number of reflections	30793
Completeness [%]	98.6	90.9
Redundancy	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.5		pH 7.5