4LTA
The crystal structure of the P132R, Y133G mutant of Pyrococcus furiosus phosphoglucose isomerase in complex with manganese and 5-phospho-D-arabinonate.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2011-05-15 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97630 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 72.950, 74.470, 75.900 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 26.580 - 2.040 |
| R-factor | 0.22125 |
| Rwork | 0.217 |
| R-free | 0.29492 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1x7n |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.417 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 26.580 | 2.090 |
| High resolution limit [Å] | 2.040 | 2.040 |
| Rmerge | 0.074 | 0.219 |
| Number of reflections | 26994 | |
| <I/σ(I)> | 7 | |
| Completeness [%] | 99.6 | 99.9 |
| Redundancy | 6.3 | 6.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 290 | 0.35M magnesium chloride, 0.1M sodium acetate, 19% PEG4000, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 290K |
