2YKI

Tricyclic series of Hsp90 inhibitors

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	NONIUS
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2005-04-21
Detector	MAR scanner 345 mm plate
Spacegroup name	I 2 2 2
Unit cell lengths	66.622, 90.562, 99.104
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.035 - 1.670
R-factor	0.239
Rwork	0.239
R-free	0.25800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.210
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall
Low resolution limit [Å]	21.030
High resolution limit [Å]	1.670
Rmerge	0.090
Number of reflections	35143
Completeness [%]	95.8
Redundancy	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.5		pH 7.5