6CYG

Hsp90-alpha N-domain bound to NEOCA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-10-14
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.000
Spacegroup name	P 21 21 2
Unit cell lengths	64.397, 89.271, 99.067
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.940 - 1.504
R-factor	0.16930995187
Rwork	0.169
R-free	0.19531
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1yer
RMSD bond length	0.006
RMSD bond angle	1.034
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]	1.500	1.500
Rmerge	0.048	0.633
Number of reflections	91048
<I/σ(I)>	31.5	2.5
Completeness [%]	99.9	99.7
Redundancy	6.4	5.8
CC(1/2)		0.756

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.4	277	Bis-Tris Propane pH 6.4, MgCl2, PEG 2000 MME. Soak crystals with NEOCA