3U3D

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 A1
Synchrotron site	CHESS
Beamline	A1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-09-23
Detector	ADSC QUANTUM 210
Wavelength(s)	1.97
Spacegroup name	P 21 21 2
Unit cell lengths	32.511, 103.328, 105.512
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.400
R-factor	0.2264
Rwork	0.224
R-free	0.27610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3jwp
RMSD bond length	0.047
RMSD bond angle	2.100
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	2.440
High resolution limit [Å]	2.400	6.510	2.400
Rmerge	0.149	0.076	0.753
Number of reflections	14365
<I/σ(I)>	6.7
Completeness [%]	98.5	98.1	97.2
Redundancy	8.2	7.2	4.4

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