6OLX

Hsp90-alpha S52A bound to PU-11-trans

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	2019-04-07
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0000
Spacegroup name	I 2 2 2
Unit cell lengths	66.787, 91.384, 98.130
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.438 - 1.438
R-factor	0.163890993175
Rwork	0.163
R-free	0.18090
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.098
Data scaling software	autoPROC
Phasing software	PHENIX (1.9_1692)
Refinement software	phenix.refine (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	66.876	1.462
High resolution limit [Å]	1.438	1.438
Rmerge	0.043	0.526
Rmeas	0.046	0.575
Rpim	0.018	0.229
Number of reflections	54417	2712
<I/σ(I)>	20	2.3
Completeness [%]	99.2	100
Redundancy	6.5	6.2
CC(1/2)	0.999	0.895

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	100mM Na Cacodylate pH 6.5 160 mM MgCl2 6% PEG 2000 monomethyl ether