3D8K
Crystal structure of a phosphatase from a toxoplasma gondii
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 31-ID |
Synchrotron site | APS |
Beamline | 31-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-12-14 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.9791 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 57.882, 169.052, 87.012 |
Unit cell angles | 90.00, 104.47, 90.00 |
Refinement procedure
Resolution | 46.710 - 2.710 |
R-factor | 0.251 |
Rwork | 0.251 |
R-free | 0.30400 |
Structure solution method | SAD |
RMSD bond length | 0.009 |
RMSD bond angle | 1.700 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SHELXD |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.690 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.130 | 0.483 |
Number of reflections | 48537 | |
<I/σ(I)> | 7.9 | 2 |
Completeness [%] | 94.6 | 87.3 |
Redundancy | 10 | 6.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 298 | 0.2M Ammonium sulphate, 0.1 Sodium acetate pH 4.6, 30% PEG MME 2000, VAPOR DIFFUSION, SITTING DROP, temperature 298K |