2XHX

Structure of HSP90 with small molecule inhibitor bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Temperature [K]	100
Spacegroup name	P 1 21 1
Unit cell lengths	47.231, 41.182, 49.827
Unit cell angles	90.00, 101.28, 90.00

Refinement procedure

Resolution	48.800 - 2.801
R-factor	0.25166
Rwork	0.244
R-free	0.40685
Structure solution method	OTHER
Starting model (for MR)	NONE
RMSD bond length	0.012
RMSD bond angle	1.380
Refinement software	REFMAC (5.6.0062)

Data quality characteristics

	Overall
Low resolution limit [Å]	37.480
High resolution limit [Å]	2.800
Rmerge	0.150
Number of reflections	4767
Completeness [%]	96.1
Redundancy	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1