1X9I
Crystal structure of Crystal structure of phosphoglucose/phosphomannose phosphoglucose/phosphomannoseisomerase from Pyrobaculum aerophilum in complex with glucose 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 | 55.900, 100.800, 56.100 |
| Unit cell angles | 90.00, 113.80, 90.00 |
Refinement procedure
| Resolution | 36.000 - 1.160 |
| R-factor | 0.148 |
| Rwork | 0.147 |
| R-free | 0.16400 |
| Structure solution method | refinement |
| Starting model (for MR) | 1tzb |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.333 |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.000 | 1.200 |
| High resolution limit [Å] | 1.160 | 1.160 |
| Rmerge | 0.049 | 0.233 |
| Number of reflections | 176109 | |
| <I/σ(I)> | 40 | 4 |
| Completeness [%] | 90.0 | 77.5 |
| Redundancy | 7.1 | 4.9 |
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 |
