7D24

Hsp90 alpha N-terminal domain in complex with a 4B 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	67.351, 89.891, 98.591
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.957 - 1.550
R-factor	0.1811
Rwork	0.180
R-free	0.19800
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	1.610
High resolution limit [Å]	1.547	3.340	1.550
Rmerge	0.040	0.031	0.206
Number of reflections	42003	4506	3591
<I/σ(I)>	20.7
Completeness [%]	95.7	97.9	82.8
Redundancy	6.4	7.7	4.2

Crystallization Conditions

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