2HJP
Crystal Structure of Phosphonopyruvate Hydrolase Complex with Phosphonopyruvate and Mg++
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2003-10-03 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 74.890, 79.180, 93.430 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.800 - 1.900 |
| R-factor | 0.175 |
| Rwork | 0.169 |
| R-free | 0.22500 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | PPH crystal structure complex with Mg++ and oxalate |
| RMSD bond length | 0.022 |
| RMSD bond angle | 2.000 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Phasing software | CNS |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.820 | 1.890 |
| High resolution limit [Å] | 1.820 | 1.820 |
| Rmerge | 0.073 | |
| Number of reflections | 24895 | |
| <I/σ(I)> | 10.8 | |
| Completeness [%] | 99.2 | 92.8 |
| Redundancy | 6.48 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 2.2M xylose, 0.1M HEPES , pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
