4YKX

Heat Shock Protein 90 Bound to CS318

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)	0.97857
Spacegroup name	I 2 2 2
Unit cell lengths	64.787, 88.417, 99.199
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.270 - 1.800
R-factor	0.1751
Rwork	0.174
R-free	0.18870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	In-house APO structure
RMSD bond length	0.010
RMSD bond angle	0.980
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	1.830
High resolution limit [Å]	1.800	4.880	1.800
Rmerge	0.052	0.028	0.370
Total number of observations	193541
Number of reflections	26507
<I/σ(I)>	14
Completeness [%]	99.9	98.1	100
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