5AJX
Human PFKFB3 in complex with an indole inhibitor 3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND |
| Synchrotron site | Diamond |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Detector | DECTRIS PIXEL |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 102.282, 102.282, 259.716 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.580 - 2.580 |
| R-factor | 0.1986 |
| Rwork | 0.198 |
| R-free | 0.20650 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.040 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.6) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.670 |
| High resolution limit [Å] | 2.580 | 2.580 |
| Rmerge | 0.090 | 1.100 |
| Number of reflections | 323057 | |
| <I/σ(I)> | 16.9 | 2.2 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 12.3 | 13.1 |
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 |
