2PGR
Crystal structure of adenosine deaminase from Plasmodium vivax in complex with pentostatin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-03-28 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.91722 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 143.488, 146.386, 50.034 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.000 - 2.300 |
| R-factor | 0.171 |
| Rwork | 0.168 |
| R-free | 0.22000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2pgf |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.883 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.103 | 0.427 |
| Number of reflections | 23772 | |
| <I/σ(I)> | 6.6 | 3.09 |
| Completeness [%] | 99.6 | 99.8 |
| Redundancy | 4.1 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 33% PEG 20000, 0.1 M TAPS (pH 9.0), 0.1 M Sodium phosphate (monobasic), 16% acetonitrile, 5 mM adenosine, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
