3OTR

2.75 Angstrom Crystal Structure of Enolase 1 from Toxoplasma gondii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2010-08-19
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.07809
Spacegroup name	I 4
Unit cell lengths	323.632, 323.632, 66.773
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.550 - 2.750
R-factor	0.17325
Rwork	0.171
R-free	0.21881
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2pa6
RMSD bond length	0.007
RMSD bond angle	1.315
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	BALBES
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.800
High resolution limit [Å]	2.750	2.750
Rmerge	0.113	0.543
Number of reflections	90781
<I/σ(I)>	11.6	2.6
Completeness [%]	100.0	100
Redundancy	4	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	295	Protein: 7.0 mG/mL, 0.25 Sodium cloride, 0.01M Tris-HCl pH 8.3; Screen: PACT (D3), 0.1M MMT buffer pH 6.0, 25% (w/v) PEG 1500, VAPOR DIFFUSION, SITTING DROP, temperature 295K