4LUL
The crystal structure of the P132A, Y133D mutant of Pyrococcus furiosus phosphoglucose isomerase in complex with manganese.
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 | 41.300, 60.030, 146.670 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.580 - 1.890 |
| R-factor | 0.19871 |
| Rwork | 0.196 |
| R-free | 0.25341 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1x7n |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.327 |
| 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] | 25.850 | 1.940 |
| High resolution limit [Å] | 1.890 | 1.890 |
| Rmerge | 0.028 | 0.352 |
| Number of reflections | 29381 | |
| <I/σ(I)> | 15.9 | 2.4 |
| Completeness [%] | 98.5 | 99.2 |
| Redundancy | 3.5 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 290 | 0.2 M calcium acetate, 0.1 M sodium acetate PH6.5, 40% PEG300., VAPOR DIFFUSION, SITTING DROP, temperature 290K |
