4IR8

1.85 Angstrom Crystal Structure of Putative Sedoheptulose-1,7 bisphosphatase from Toxoplasma gondii

Replaces:  3UKS

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	2011-10-06
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97903
Spacegroup name	P 65 2 2
Unit cell lengths	64.400, 64.400, 591.610
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.520 - 1.850
R-factor	0.1558
Rwork	0.154
R-free	0.18465
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3kbz
RMSD bond length	0.011
RMSD bond angle	1.323
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.880
High resolution limit [Å]	1.850	1.850
Rmerge	0.088	0.606
Number of reflections	64336
<I/σ(I)>	29.6	5.3
Completeness [%]	99.4	99.3
Redundancy	14.3	15

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	295	Protein: 20.0mG/mL, 0.5M Sodium chloride, 0.01M Tris-HCl (pH 8.3); Screen: PEG's (A2), 0.1M Sodium acetate (pH 4.6), 30% (v/v) PEG 300, VAPOR DIFFUSION, SITTING DROP, temperature 295K