1X9H
Crystal structure of phosphoglucose/phosphomannose isomerase from Pyrobaculum aerophilum in complex with fructose 6-phosphate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-10-06 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 55.200, 100.800, 55.900 |
| Unit cell angles | 90.00, 113.40, 90.00 |
Refinement procedure
| Resolution | 36.000 - 1.500 |
| R-factor | 0.153 |
| Rwork | 0.152 |
| R-free | 0.18000 |
| Structure solution method | REFINEMENT |
| Starting model (for MR) | 1tzb |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.343 |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.000 | 1.550 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.063 | 0.391 |
| Number of reflections | 86757 | |
| <I/σ(I)> | 19.5 | 1.7 |
| Completeness [%] | 96.8 | 82.8 |
| Redundancy | 3.6 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 295 | 25% polyethylene glycol 8000, 0.22M ammonium sulphate, 100mM Tris, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
