5AJV
Human PFKFB3 in complex with an indole inhibitor 1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND |
| Synchrotron site | Diamond |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Detector | DECTRIS PILATUS |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 102.630, 102.630, 258.210 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 88.880 - 3.010 |
| R-factor | 0.18462 |
| Rwork | 0.182 |
| R-free | 0.22534 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.932 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 88.880 | 3.010 |
| High resolution limit [Å] | 3.010 | 2.890 |
| Rmerge | 0.110 | 0.620 |
| Number of reflections | 14554 | |
| <I/σ(I)> | 16.5 | 4.6 |
| Completeness [%] | 91.5 | 94.2 |
| Redundancy | 17.8 | 7.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 0.2M SODIUM MALONATE, 18W/V% PEG3350 AND 0.1 M PCTP BUFFER PH 7.0 |
