5AK0
Human PFKFB3 in complex with an indole inhibitor 6
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND |
Synchrotron site | Diamond |
Temperature [K] | 100 |
Detector technology | PIXEL |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 103.420, 103.420, 260.710 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 52.700 - 2.030 |
R-factor | 0.1808 |
Rwork | 0.179 |
R-free | 0.20370 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 0.980 |
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] | 52.700 | 2.040 |
High resolution limit [Å] | 2.030 | 2.030 |
Rmerge | 0.060 | 0.470 |
Number of reflections | 53660 | |
<I/σ(I)> | 18.5 | 3.4 |
Completeness [%] | 99.4 | 95.1 |
Redundancy | 6.6 | 6.7 |
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 |