5AJY
Human PFKFB3 in complex with an indole inhibitor 4
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 | 102.817, 102.817, 261.793 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 36.810 - 2.370 |
| R-factor | 0.1988 |
| Rwork | 0.198 |
| R-free | 0.21190 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.020 |
| 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] | 37.400 | 2.450 |
| High resolution limit [Å] | 2.370 | 2.370 |
| Rmerge | 0.070 | 0.990 |
| Number of reflections | 37160 | |
| <I/σ(I)> | 14.5 | 1.9 |
| Completeness [%] | 99.7 | 100 |
| Redundancy | 7 | 6.9 |
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 |
