3QN3
Phosphopyruvate hydratase from Campylobacter jejuni.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-12-19 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.9792 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 120.470, 148.886, 234.719 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.900 - 2.130 |
| R-factor | 0.1781 |
| Rwork | 0.176 |
| R-free | 0.21590 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2pa6 |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.501 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 35.900 | 50.000 | 2.170 |
| High resolution limit [Å] | 2.130 | 5.780 | 2.130 |
| Rmerge | 0.096 | 0.049 | 0.755 |
| Number of reflections | 115778 | ||
| <I/σ(I)> | 10.4 | 1.95 | |
| Completeness [%] | 98.7 | 99.2 | 99.1 |
| Redundancy | 5.8 | 6.9 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 289 | 0.2 M magnesium chloride, 0.1 M imidazole buffer, 35% MPD, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
