3U31

Plasmodium falciparum Sir2A preferentially hydrolyzes medium and long chain fatty acyl lysine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE F2
Synchrotron site	CHESS
Beamline	F2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-11-10
Detector	ADSC QUANTUM 210
Wavelength(s)	1.97
Spacegroup name	P 21 21 2
Unit cell lengths	32.173, 102.734, 105.184
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.200
R-factor	0.2046
Rwork	0.202
R-free	0.24650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3jwp
RMSD bond length	0.024
RMSD bond angle	2.066
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.240
High resolution limit [Å]	2.200	5.970	2.200
Rmerge	0.129	0.079	0.748
Number of reflections	18544
<I/σ(I)>	7.2
Completeness [%]	99.9	98.6	99.9
Redundancy	6.7	5.8	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	16% PEG 3350, 0.1M NaF, 7% Formamide, vapor diffusion, hanging drop, temperature 298K