4YKY

Heat Shock Protein 90 Bound to CS319

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2012-06-13
Detector	RAYONIX MX-300
Wavelength(s)	0.97852
Spacegroup name	I 2 2 2
Unit cell lengths	64.885, 88.878, 99.565
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.410 - 1.780
R-factor	0.1673
Rwork	0.166
R-free	0.18780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	In-house APO structure
RMSD bond length	0.010
RMSD bond angle	1.010
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	BUSTER-TNT (BUSTER 2.11.1)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.810
High resolution limit [Å]	1.780	4.830	1.780
Rmerge	0.059	0.037	0.404
Total number of observations	198037
Number of reflections	27789
<I/σ(I)>	15.1
Completeness [%]	99.8	96.8	100
Redundancy	7.1	6.7	7.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	277	26% Peg 4000, 0.2 M MgCl2, 0.1 M Tris pH 8.0, Cryo conditions: 35% Peg 4000, 10% glycerol