6LTK

HSP90 in complex with SNX-2112

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-06-18
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979
Spacegroup name	I 2 2 2
Unit cell lengths	69.700, 88.868, 96.550
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.237 - 2.141
R-factor	0.1945
Rwork	0.191
R-free	0.22340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3tuh
RMSD bond length	0.004
RMSD bond angle	0.707
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.180
High resolution limit [Å]	2.140	2.140
Number of reflections	16858	836
<I/σ(I)>	6
Completeness [%]	98.0
Redundancy	6.8
CC(1/2)	0.997	0.639

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	100 mM Tris-HCl (pH 8.5) 200 mM MgCl2 25% PEG4000