3OBK

Crystal structure of delta-aminolevulinic acid dehydratase (porphobilinogen synthase) from toxoplasma gondii ME49 in complex with the reaction product porphobilinogen

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2010-06-25
Detector	ADSC QUANTUM 315
Wavelength(s)	1.00
Spacegroup name	P 21 21 2
Unit cell lengths	177.110, 187.170, 95.860
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.930 - 2.500
R-factor	0.18
Rwork	0.177
R-free	0.23200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1b4k
RMSD bond length	0.014
RMSD bond angle	1.497
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.930	2.560
High resolution limit [Å]	2.500	2.500
Rmerge	0.115	0.538
Number of reflections	109171
<I/σ(I)>	11.8	2.3
Completeness [%]	98.6	90.3
Redundancy	4.04	3.56

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	289	90% PACT SCREEN CONDITION E4 + 10% ADDIT SCREEN D7: 0.18 M KSCN, 18% PEG 3350, 3% W/V DIAMINOOCTANE, 5 MM AMINOLEVULINIC ACID, TOGOA.17087.A.Y2 AT 6.3 MG/ML, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 290K, pH 7.00, temperature 289K