4YKQ

Heat Shock Protein 90 Bound to CS301

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	64.793, 88.934, 99.745
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.190 - 1.910
R-factor	0.176
Rwork	0.175
R-free	0.20090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	In-house APO structure
RMSD bond length	0.010
RMSD bond angle	0.970
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	1.930
High resolution limit [Å]	1.900	5.160	1.900
Rmerge	0.062	0.040	0.433
Total number of observations	119647
Number of reflections	22421
<I/σ(I)>	11.4
Completeness [%]	99.5	97.7	99.9
Redundancy	5.3	4.9	5.7

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