4YKR

Heat Shock Protein 90 Bound to CS302

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	64.968, 89.045, 99.772
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.220 - 1.610
R-factor	0.1759
Rwork	0.175
R-free	0.19540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	In-house APO structure
RMSD bond length	0.010
RMSD bond angle	1.020
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	1.630
High resolution limit [Å]	1.600	4.340	1.600
Rmerge	0.057	0.040	0.466
Total number of observations	268776
Number of reflections	37838
<I/σ(I)>	13.4
Completeness [%]	99.5	91.8	100
Redundancy	7.1	6.3	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