5AJW
Human PFKFB3 in complex with an indole inhibitor 2
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 | 102.530, 102.530, 260.310 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 51.260 - 2.500 |
R-factor | 0.2001 |
Rwork | 0.199 |
R-free | 0.22340 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.060 |
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] | 51.260 | 2.510 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.070 | 0.490 |
Number of reflections | 28866 | |
<I/σ(I)> | 16.9 | 3.7 |
Completeness [%] | 99.8 | 100 |
Redundancy | 7.1 | 7.3 |
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 |