3Q5L

Crystal structure of the amino-terminal domain of HSP90 from Leishmania major, LMJF33.0312:M1-K 213 in the presence of 17-AEP-geldanamycin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2010-10-21
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97942
Spacegroup name	P 43
Unit cell lengths	161.341, 161.341, 48.142
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.540 - 2.650
R-factor	0.2292
Rwork	0.227
R-free	0.27770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3h80
RMSD bond length	0.011
RMSD bond angle	1.144
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	2.700
High resolution limit [Å]	2.650	7.190	2.650
Rmerge	0.062	0.032	0.605
Number of reflections	36607
<I/σ(I)>	8.4
Completeness [%]	99.6	95.2	100
Redundancy	4.9	4.6	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	20% PEG 3350, 0.2 M disodium tartrate, 1 mM AEP-GA, 4 mM MgCl2, 2 mM TCEP, Glycerol, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K