3LZE

Plasmodium vivax 6-pyruvoyltetrahydropterin synthase (PTPS), E37C catalytic residue mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-06-18
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.9795
Spacegroup name	H 3 2
Unit cell lengths	131.495, 131.495, 73.670
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.030 - 1.900
R-factor	0.193
Rwork	0.191
R-free	0.22000
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	3lx3 with mutation and without ligand
RMSD bond length	0.016
RMSD bond angle	1.542
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	REFMAC (5.5.0106)
Refinement software	REFMAC (refmac_5.5.0106)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.970
High resolution limit [Å]	1.900	1.900
Rmerge	0.077	0.661
Number of reflections	19289
<I/σ(I)>	14.5	2.5
Completeness [%]	99.9	100
Redundancy	9.2	9.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.2	298	2 ul 17 mg/ml protein (in SGPP buffer) mixed with 1 ul 0.1 M sodium acetate (pH 5.2), 24% PEG 3350, 1 mM TCEP; cryoprotected by 5 sec dip in 96 mM sodium acetate (pH 5.2), 24% PEG 3350, 134 mM NaCl, 20% glycerol, vapor diffusion, hanging drop, temperature 298K