2ISN
Crystal structure of a phosphatase from a pathogenic strain Toxoplasma gondii
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X12C |
Synchrotron site | NSLS |
Beamline | X12C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-09-22 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.9792, 0.9788,0.9500 |
Spacegroup name | P 1 |
Unit cell lengths | 52.986, 62.447, 63.738 |
Unit cell angles | 65.53, 70.21, 77.64 |
Refinement procedure
Resolution | 43.060 - 1.900 |
R-factor | 0.241 |
Rwork | 0.241 |
R-free | 0.27900 |
Structure solution method | MAD |
Starting model (for MR) | none |
RMSD bond length | 0.007 |
RMSD bond angle | 1.500 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SOLVE |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.970 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.110 | 0.380 |
Number of reflections | 54775 | |
<I/σ(I)> | 8.8 | 1 |
Completeness [%] | 99.9 | 99.1 |
Redundancy | 7.1 | 5.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 5.6 | 298 | 2M Li2So4, 0.5M Ammonium sulfate, 0.1M Na-citrate, ph 5.6, praseodymium acetate, VAPOR DIFFUSION, temperature 298K |
1 | VAPOR DIFFUSION | 5.6 | 298 | 2M Li2So4, 0.5M Ammonium sulfate, 0.1M Na-citrate, ph 5.6, praseodymium acetate, VAPOR DIFFUSION, temperature 298K |
1 | VAPOR DIFFUSION | 5.6 | 298 | 2M Li2So4, 0.5M Ammonium sulfate, 0.1M Na-citrate, ph 5.6, praseodymium acetate, VAPOR DIFFUSION, temperature 298K |