6QU4
Crystal Structure of Phosphofructokinase from Trypanosoma brucei in complex with an allosteric inhibitor ctcb405
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-12-07 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9685 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 150.584, 165.088, 83.384 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.020 - 2.750 |
R-factor | 0.22029 |
Rwork | 0.218 |
R-free | 0.25694 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3f5m |
RMSD bond length | 0.006 |
RMSD bond angle | 1.422 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0241) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.020 | 2.848 |
High resolution limit [Å] | 2.750 | 2.750 |
Number of reflections | 50992 | |
<I/σ(I)> | 9.5 | |
Completeness [%] | 93.0 | |
Redundancy | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 290 | 0.1M carboxylic acids (sodium formate, ammonium acetate, sodium citrate tribasic dihydrate, sodium 154 potassium tartrate tetrahydrate and sodium oxamate), buffer system 1 (0.1 M imidazole; MES 155 monohydrate (acid)) and precipitant mix 3 (40% v/v glycerol; 20% w/v PEG 4000) |