7D1V

Hsp90 alpha N-terminal domain in complex with a 6C 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	2011-02-11
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.00000
Spacegroup name	I 2 2 2
Unit cell lengths	67.105, 90.088, 98.714
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.959 - 1.332
R-factor	0.1792
Rwork	0.179
R-free	0.19380
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	1.380
High resolution limit [Å]	1.330	2.870	1.330
Rmerge	0.056	0.041	0.328
Total number of observations	734331
Number of reflections	68098	6985	6646
<I/σ(I)>	15.9
Completeness [%]	99.3	98	98
Redundancy	10.8	13.8	7

Crystallization Conditions

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