6LTI

HSP90 in complex with NVP-AUY922

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	66.184, 89.288, 99.557
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.644 - 1.588
R-factor	0.1772
Rwork	0.176
R-free	0.19510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3tuh
RMSD bond length	0.007
RMSD bond angle	0.844
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	1.620
High resolution limit [Å]	1.588	1.590
Number of reflections	76782	3819
<I/σ(I)>	6.5
Completeness [%]	99.0
Redundancy	6.8
CC(1/2)	0.995	0.780

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.1M Tris-HCl pH8.5 0.2M MgCl2 25% PEG4000