2XDL

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	66.227, 90.154, 100.626
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.950 - 1.980
R-factor	0.1938
Rwork	0.191
R-free	0.25160
Structure solution method	OTHER
Starting model (for MR)	NONE
Refinement software	BUSTER-TNT (2.5.1)

Data quality characteristics

	Overall
Low resolution limit [Å]	34.940
High resolution limit [Å]	1.980
Rmerge	0.070
Number of reflections	21329
<I/σ(I)>	6.3
Completeness [%]	96.3
Redundancy	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1