6LR9

HSP90 in complex with Debio0932

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	2018-04-21
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979
Spacegroup name	I 2 2 2
Unit cell lengths	67.454, 89.867, 97.495
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.934 - 2.196
R-factor	0.1714
Rwork	0.167
R-free	0.20900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5cf0
RMSD bond length	0.005
RMSD bond angle	0.797
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.934	2.280
High resolution limit [Å]	2.196	2.200
Rmerge	0.170
Rpim		0.483
Number of reflections	15425	1499
<I/σ(I)>	14.559
Completeness [%]	99.9
Redundancy	9.6
CC(1/2)		0.717

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