7D26

Hsp90 alpha N-terminal domain in complex with a 8 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	2013-03-29
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0000
Spacegroup name	I 2 2 2
Unit cell lengths	67.613, 89.389, 98.216
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.742 - 1.750
R-factor	0.1955
Rwork	0.193
R-free	0.22790
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	50.000	1.810
High resolution limit [Å]	1.748	3.770	1.750
Rmerge	0.093	0.070	0.277
Number of reflections	29933	3177	2886
<I/σ(I)>	12
Completeness [%]	98.6	99.5	96.2
Redundancy	5.5	7.5	3.4

Crystallization Conditions

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