3K2Q
Crystal structure of Pyrophosphate-dependent phosphofructokinase from Marinobacter aquaeolei, NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET MqR88
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4A |
| Synchrotron site | NSLS |
| Beamline | X4A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-07-02 |
| Detector | ADSC QUANTUM 4r |
| Wavelength(s) | 0.979 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 151.526, 100.752, 101.584 |
| Unit cell angles | 90.00, 110.34, 90.00 |
Refinement procedure
| Resolution | 44.700 - 2.500 |
| R-factor | 0.234 |
| Rwork | 0.234 |
| R-free | 0.26000 |
| Structure solution method | SAD |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.300 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SHELXS |
| Refinement software | CNS (1.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.540 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.089 | 0.479 |
| Number of reflections | 97362 | |
| <I/σ(I)> | 9.3 | |
| Completeness [%] | 98.5 | 97.8 |
| Redundancy | 1.8 | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Microbatch under oil | 8 | 293 | 0.1M Na2MOO4, 0.1M Tris pH 8, 20% PEG 8K, Microbatch under oil, temperature 293K |
