2IWS

Radicicol analogues bound to the ATP site of HSP90

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	CCD
Collection date	2005-12-10
Detector	ADSC CCD
Spacegroup name	P 43 2 2
Unit cell lengths	73.841, 73.841, 109.135
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 2.700
R-factor	0.223
Rwork	0.223
R-free	0.29500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ah6
RMSD bond length	0.003
RMSD bond angle	0.445
Data reduction software	MOSFLM
Data scaling software	SCALA
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.850
High resolution limit [Å]	2.700	2.700
Rmerge	0.070	0.370
Number of reflections	8730
<I/σ(I)>	17.3	3.9
Completeness [%]	99.6	99.6
Redundancy	5	5.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1