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 |