2XX4

Macrolactone Inhibitor bound to HSP90 N-term

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	100
Detector technology	CCD
Collection date	2009-12-03
Detector	BRUKER
Spacegroup name	P 43 2 2
Unit cell lengths	73.736, 73.736, 110.000
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.831 - 2.199
R-factor	0.2146
Rwork	0.211
R-free	0.27670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ah6
RMSD bond length	0.007
RMSD bond angle	1.090
Data reduction software	PROTEUM2
Data scaling software	PROTEUM2
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.100	0.240
Number of reflections	16082
<I/σ(I)>	9.3	1.2
Completeness [%]	98.6	99.5
Redundancy	3.7	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7		pH 7