7D22

Hsp90 alpha N-terminal domain in complex with a 6B compund

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	CCD
Collection date	2011-02-20
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.00000
Spacegroup name	I 2 2 2
Unit cell lengths	68.146, 89.903, 98.788
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.323 - 1.600
R-factor	0.1956
Rwork	0.194
R-free	0.22230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5h22
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	3.450	1.660
High resolution limit [Å]	1.599	2.740	1.600
Rmerge	0.048	0.041	0.341
Number of reflections	39322	4070	3687
<I/σ(I)>	12.4
Completeness [%]	97.3	99.7	92.5
Redundancy	5.4	7.4	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	1.0M ammonium Sulfate, 0.1M Tris-HCl (pH8.5)