6N8Y

Hsp90-beta bound to PU-11-trans

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2015-02-13
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.03320
Spacegroup name	I 2 2 2
Unit cell lengths	67.144, 90.959, 96.196
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.740 - 1.554
R-factor	0.165084712623
Rwork	0.164
R-free	0.18301
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3t0h
RMSD bond length	0.007
RMSD bond angle	1.088
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX (1.9_1692)
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.960	1.440
High resolution limit [Å]	1.420	1.420
Rmerge	0.048	0.623
Number of reflections	53866	1748
<I/σ(I)>	20.4	1.8
Completeness [%]	96.1	64.3
Redundancy	7	4.6
CC(1/2)	0.998	0.752

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	MES pH 6.5, MgCl2, PEG 2000 MME. Incubate with PU-11-trans prior to setup.