3JWP

Crystal structure of Plasmodium falciparum SIR2A (PF13_0152) in complex with AMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE A1
Synchrotron site	CHESS
Beamline	A1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-05-01
Detector	ADSC QUANTUM 210
Wavelength(s)	.978
Spacegroup name	P 6
Unit cell lengths	106.564, 106.564, 44.968
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.880 - 2.650
R-factor	0.209
Rwork	0.206
R-free	0.27400
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	1.103
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELX
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.700
High resolution limit [Å]	2.650	2.650
Rmerge	0.094	0.936
Number of reflections	10243
<I/σ(I)>	8.9	2.05
Completeness [%]	99.8	100
Redundancy	7.6	6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				17 % PEG 3350, 0.1 M NaCitrate pH 5.7, 0.1 mM beta-OG, 2.6 mM AMP, 2.6 mM peptide(SGRGKacGGKacGLGKacGGAKacRHR)
1				17 % PEG 3350, 0.1 M NaCitrate pH 5.7, 0.1 mM beta-OG, 2.6 mM AMP, 2.6 mM peptide(SGRGKacGGKacGLGKacGGAKacRHR)
1				17 % PEG 3350, 0.1 M NaCitrate pH 5.7, 0.1 mM beta-OG, 2.6 mM AMP, 2.6 mM peptide(SGRGKacGGKacGLGKacGGAKacRHR)