3OZG

Crystal Structure of Plasmodium falciparum Hypoxanthine-Guanine-Xanthine Phosphoribosyltransferase in complex with S-SerMe-ImmH phosphonate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2010-04-08
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0809
Spacegroup name	C 2 2 21
Unit cell lengths	105.095, 110.628, 173.336
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.980 - 1.993
R-factor	0.22149
Rwork	0.219
R-free	0.26418
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1cbj
RMSD bond length	0.012
RMSD bond angle	1.503
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]	20.000	20.000	2.070
High resolution limit [Å]	1.993	4.300	1.993
Rmerge	0.149	0.065	0.707
Number of reflections	67657
<I/σ(I)>	5.9
Completeness [%]	98.5	100	88.7
Redundancy	7.3	7.7	5.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.4	291	200mM sodium citrate, 20% PEG3350, pH 7.4, vapor diffusion, sitting drop, temperature 291K