4YKZ

Heat Shock Protein 90 Bound to CS320

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2012-08-15
Detector	RAYONIX MX-225
Wavelength(s)	0.97872
Spacegroup name	I 2 2 2
Unit cell lengths	64.908, 88.340, 99.387
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.010 - 1.850
R-factor	0.1756
Rwork	0.174
R-free	0.20590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	In-house APO Structure
RMSD bond length	0.010
RMSD bond angle	0.990
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	BUSTER-TNT (BUSTER 2.11.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.570
High resolution limit [Å]	1.540	4.180	1.540
Rmerge	0.058	0.034	0.383
Total number of observations	297686
Number of reflections	42245
<I/σ(I)>	14
Completeness [%]	99.5	91.8	100
Redundancy	7	6.3	7.2

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