3O6O

Crystal Structure of the N-terminal domain of an HSP90 from Trypanosoma Brucei, Tb10.26.1080 in the presence of an the inhibitor BIIB021

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2010-06-15
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	55.650, 65.812, 62.745
Unit cell angles	90.00, 92.28, 90.00

Refinement procedure

Resolution	25.610 - 2.000
R-factor	0.1965
Rwork	0.195
R-free	0.23050
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER (2.1.4)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.030
High resolution limit [Å]	2.000	5.430	2.000
Rmerge	0.075	0.041	0.528
Number of reflections	30581
<I/σ(I)>	9.6		2.45
Completeness [%]	99.3	99.1	93.7
Redundancy	3.7	3.6	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	2.0 M Ammonium Sulfate 2% PEG400 0.1 M Hepes pH 7.5 2 mM TCEP 4 mM MgCl2 2 mM Inhibitor 85705, VAPOR DIFFUSION, SITTING DROP, temperature 293K