2XDU

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	67.013, 90.725, 98.735
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	67.420 - 1.740
R-factor	0.19757
Rwork	0.196
R-free	0.22200
Structure solution method	OTHER
Starting model (for MR)	NONE
RMSD bond length	0.014
RMSD bond angle	1.296
Refinement software	REFMAC (5.6.0062)

Data quality characteristics

	Overall
Low resolution limit [Å]	27.560
High resolution limit [Å]	1.740
Rmerge	0.040
Number of reflections	31183
Completeness [%]	96.6
Redundancy	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1