7D25

Hsp90 alpha N-terminal domain in complex with a 14 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)	1.0000
Spacegroup name	I 2 2 2
Unit cell lengths	67.604, 89.828, 98.231
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.961 - 1.650
R-factor	0.1876
Rwork	0.186
R-free	0.21420
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	1.710
High resolution limit [Å]	1.650	3.550	1.650
Rmerge	0.053	0.041	0.252
Total number of observations	207351
Number of reflections	35747	3764	3445
<I/σ(I)>	16.1
Completeness [%]	98.5	98.9	96.5
Redundancy	5.8	7.5	3.9

Crystallization Conditions

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