6B99

Hsp90-alpha N-domain bound to NECA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-06-05
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	I 2 2 2
Unit cell lengths	64.547, 90.077, 98.409
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.891 - 1.602
R-factor	0.165339757759
Rwork	0.164
R-free	0.18274
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1yer
RMSD bond length	0.006
RMSD bond angle	1.032
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	1.630
High resolution limit [Å]	1.600	1.600
Rmerge	0.105	0.561
Number of reflections	37663
<I/σ(I)>	26.6	2.8
Completeness [%]	99.2	99.2
Redundancy	6	5.2
CC(1/2)		0.791

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 with NECA