4EIV

1.37 Angstrom resolution crystal structure of apo-form of a putative deoxyribose-phosphate aldolase from Toxoplasma gondii ME49

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2012-03-05
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97856
Spacegroup name	P 21 21 21
Unit cell lengths	71.982, 73.284, 96.378
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.420 - 1.370
R-factor	0.15327
Rwork	0.152
R-free	0.18485
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qyq
RMSD bond length	0.010
RMSD bond angle	1.428
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.390
High resolution limit [Å]	1.370	1.370
Rmerge	0.047	0.602
Number of reflections	107282
<I/σ(I)>	27.99	2.86
Completeness [%]	99.4	100
Redundancy	6.7	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	295	The PACT suite B7(#19)-0.2 M NaCl, 0.1 M MES pH 6.0, 20% (w/v) PEG 6k. Protein at 12.7 mg/mL in 10 mM Tris-HCl pH 8.3, 500 mM NaCl, 5 mM BME. , VAPOR DIFFUSION, SITTING DROP, temperature 295K