6QU5
Crystal Structure of Phosphofructokinase from Trypanosoma brucei in complex with an allosteric inhibitor ctcb12
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 | 2014-05-24 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 115.251, 132.513, 282.699 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 96.670 - 3.400 |
| R-factor | 0.25054 |
| Rwork | 0.250 |
| R-free | 0.26710 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3f5m |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.484 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0241) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 96.670 | 3.522 |
| High resolution limit [Å] | 3.400 | 3.400 |
| Number of reflections | 60210 | |
| <I/σ(I)> | 8.4 | |
| Completeness [%] | 99.7 | |
| Redundancy | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 290 | 9.5% PEG, 8000, 0.1 M sodium cacodylate pH 7.4 |
