5LO1

HSP90 WITH indazole derivative

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X1A
Synchrotron site	NSLS
Beamline	X1A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2008-12-17
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.0
Spacegroup name	I 2 2 2
Unit cell lengths	65.860, 92.360, 97.110
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.550 - 2.700
R-factor	0.234
Rwork	0.233
R-free	0.24600
RMSD bond length	0.010
RMSD bond angle	1.190
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	MOLREP
Refinement software	BUSTER (2.11.6)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.550	2.760
High resolution limit [Å]	2.670	2.670
Number of reflections	8553
<I/σ(I)>	17.2	2.9
Completeness [%]	97.6	77.6
Redundancy	5.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	Bis-Tris Propan, pH 6.5 22% PEG 3350 0,2M NaF