4YKW

Heat Shock Protein 90 Bound to CS312

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2012-10-11
Detector	RAYONIX MX-300
Wavelength(s)	0.97857
Spacegroup name	P 1
Unit cell lengths	43.928, 51.853, 56.703
Unit cell angles	68.43, 86.65, 71.50

Refinement procedure

Resolution	45.710 - 1.850
R-factor	0.1973
Rwork	0.196
R-free	0.22920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	In-house APO Structure
RMSD bond length	0.009
RMSD bond angle	1.110
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	1.880
High resolution limit [Å]	1.850	5.020	1.850
Rmerge	0.062	0.028	0.495
Total number of observations	144968
Number of reflections	36735
<I/σ(I)>	7.7
Completeness [%]	97.9	99.4	96.2
Redundancy	3.9	3.9	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	277	20% Peg 1000, 0.1 M Tris pH 7.0, Cryo Conditions: 35% Peg 4000, 10% glycerol