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 |