3BPW

Crystal Structure of P. falciparum Orotidine 5'-monophosphate Decarboxylase Complexed with XMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2007-08-15
Detector	MARMOSAIC 225 mm CCD
Spacegroup name	P 21 21 2
Unit cell lengths	80.902, 83.582, 89.793
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.700
R-factor	0.172
Rwork	0.170
R-free	0.20500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2q8l
RMSD bond length	0.010
RMSD bond angle	1.553
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.760
High resolution limit [Å]	1.700	1.700
Rmerge	0.068	0.394
Number of reflections	66788
<I/σ(I)>	11.2	2.6
Completeness [%]	99.5	95.6
Redundancy	4.6	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.2	293	30% PEG 1000, 100mM Ammonium Phosphate, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K, pH 7.20