2HRW
Crystal Structure of Phosphonopyruvate Hydrolase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-BM |
| Synchrotron site | APS |
| Beamline | 17-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-06-28 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.0 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 74.880, 79.020, 93.440 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 32.620 - 2.200 |
| R-factor | 0.21 |
| Rwork | 0.204 |
| R-free | 0.27100 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.970 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 32.620 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.080 | 0.656 |
| Number of reflections | 13871 | |
| <I/σ(I)> | 13.2 | |
| Completeness [%] | 95.0 | 96.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 2.3M xylose, 100 mM HEPES, pH7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
