3B25

Hsp90 alpha N-terminal domain in complex with an inhibitor CH4675194

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-6B
Synchrotron site	Photon Factory
Beamline	BL-6B
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2004-02-27
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.000
Spacegroup name	I 2 2 2
Unit cell lengths	66.788, 91.112, 98.746
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.400 - 1.750
R-factor	0.181
Rwork	0.180
R-free	0.20280
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.070
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	TNT

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	100.000	100.000	1.810
High resolution limit [Å]	1.750	3.770	1.750
Rmerge	0.069	0.053	0.412
Rmeas	0.069
Number of reflections	30759
<I/σ(I)>	11.5
Completeness [%]	99.8	98.9	99.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	277	18%(w/v) PEG3350, 0.4M MgCl2, 0.1M Tris-Cl, pH 8.0, vapor diffusion, hanging drop, temperature 277K