6N8X

Hsp90-alpha bound to PU-11-trans

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2015-02-13
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0332
Spacegroup name	I 2 2 2
Unit cell lengths	66.782, 91.251, 97.857
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.813 - 1.495
R-factor	0.160476964783
Rwork	0.159
R-free	0.18495
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.078
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX (1.9_1692)
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.530
High resolution limit [Å]	1.490	1.490
Rmerge	0.061	0.378
Number of reflections	48469
<I/σ(I)>	42.4	3.42
Completeness [%]	99.4	98.7
Redundancy	7.1	6.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	Na Cacodylate pH 6.5, MgCl2, PEG 2000 MME. Incubate with PU-11-trans prior to setup.