3Q5J

Crystal structure of the amino-terminal domain of HSP90 from Leishmania major, LMJF33.0312:M1-K213 in the presence of 17-DMAP-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	2010-11-07
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97625
Spacegroup name	I 41
Unit cell lengths	111.730, 111.730, 48.980
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.650 - 2.100
R-factor	0.2039
Rwork	0.202
R-free	0.23390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3h80
RMSD bond length	0.010
RMSD bond angle	1.060
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	TNT

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.180
High resolution limit [Å]	2.100	4.520	2.100
Rmerge	0.077	0.042	0.716
Number of reflections	17723
<I/σ(I)>	8.3		1.42
Completeness [%]	98.8	99.9	93.2
Redundancy	6.9	7.1	5.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	293	2.2 M Na Formate, 0.1 M Na Acetate, 1 mM 17-DMAP-GA, 4 mM MgCl2, 2 mM TCEP, pH 4.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K