4IR8
1.85 Angstrom Crystal Structure of Putative Sedoheptulose-1,7 bisphosphatase from Toxoplasma gondii
Replaces: 3UKSExperimental 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 |