3PEJ

Crystal Structure of the N-terminal domain of an HSP90 from Plasmodium Falciparum, PFL1070c in the presence of Macbecin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-09-21
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97949
Spacegroup name	P 42 21 2
Unit cell lengths	96.880, 96.880, 159.698
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.920 - 2.810
R-factor	0.2414
Rwork	0.239
R-free	0.27930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3peh
RMSD bond length	0.009
RMSD bond angle	1.070
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	BUSTER-TNT

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	2.910
High resolution limit [Å]	2.810	6.050	2.810
Rmerge	0.139	0.042	0.991
Number of reflections	19268
<I/σ(I)>	7.8		2
Completeness [%]	99.9	100	99.4
Redundancy	7.6	7.3	5.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	30 % PEG 5K MME 0.2 M Ammonium sulfate 0.1 M MES pH 6.5 1 mM Mecbecin 4 mM MgCl2 2 mM TCEP ethylene glycol, VAPOR DIFFUSION, SITTING DROP, temperature 293K