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 |