3OMU

Crystal Structure of the N-terminal domain of an HSP90 from Trypanosoma Brucei, Tb10.26.1080 in the presence of a thienopyrimidine derivative

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	2010-07-14
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	60.044, 60.941, 126.996
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.160 - 2.150
R-factor	0.2264
Rwork	0.224
R-free	0.27300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3o6o
RMSD bond length	0.009
RMSD bond angle	1.236
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]	35.000	35.000	2.190
High resolution limit [Å]	2.150	5.830	2.150
Rmerge	0.071	0.031	0.724
Number of reflections	25590
<I/σ(I)>	12.6		3.05
Completeness [%]	97.8	99	97.1
Redundancy	6.7	6.2	6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	25% PEG 3350 0.2 M Ammonium Acetate 0.1 M Hepes pH 7.5 4 mM MgCl2 2 mM TCEP 2 mM DDU101329, VAPOR DIFFUSION, SITTING DROP, temperature 293K