4YKT

Heat Shock Protein 90 Bound to CS307

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	64.932, 89.063, 99.450
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.450 - 1.850
R-factor	0.1812
Rwork	0.179
R-free	0.21400
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 2.11.1)

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	0.045	0.024	0.409
Total number of observations	181076
Number of reflections	24826
<I/σ(I)>	17.4
Completeness [%]	99.7	95	99.9
Redundancy	7.3	6.6	7.4

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