3MNR

Crystal Structure of Benzamide SNX-1321 bound to Hsp90

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	113.5
Detector technology	CCD
Collection date	2004-10-24
Detector	RIGAKU SATURN 92
Wavelength(s)	1.5418
Spacegroup name	I 2 2 2
Unit cell lengths	66.773, 90.753, 99.116
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.450 - 1.900
R-factor	0.19021
Rwork	0.188
R-free	0.23458
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3d0b
RMSD bond length	0.009
RMSD bond angle	1.302
Data reduction software	d*TREK
Data scaling software	d*TREK
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.450	1.970
High resolution limit [Å]	1.900	1.900
Number of reflections	21887
<I/σ(I)>	10.8	1.8
Completeness [%]	95.0	95
Redundancy	2.74	1.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIQUID DIFFUSION	6.5	277	Crystallized in 0.2M MgCl2, 0.1M Bis-Tris pH 6.5, and 20% PEG 3350 and were cryo-protected by adding 25% Ethylene Glycol to the mother liquor and passing the crystal through the solution immediately before flash freezing it in liquid nitrogen. The drops were setup by hand, adding 0.5ul protein to 0.5ul of reservoir in a sitting drop 192-well corning crystallization plate and incubated at 277K. , LIQUID DIFFUSION