2XDS

Structure of HSP90 with small molecule inhibitor bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Temperature [K]	100
Spacegroup name	I 2 2 2
Unit cell lengths	66.548, 90.195, 98.631
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.280 - 1.970
R-factor	0.2097
Rwork	0.208
R-free	0.24790
Structure solution method	OTHER
Starting model (for MR)	NONE
Refinement software	BUSTER-TNT (2.5.1)

Data quality characteristics

	Overall
Low resolution limit [Å]	36.280
High resolution limit [Å]	1.970
Rmerge	0.040
Number of reflections	21376
Completeness [%]	92.8
Redundancy	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1