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 |
