6QU3
Crystal Structure of Phosphofructokinase from Trypanosoma brucei in complex with an allosteric inhibitor ctcb360
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-06-03 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 166.154, 150.561, 83.993 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 68.660 - 2.350 |
R-factor | 0.20795 |
Rwork | 0.206 |
R-free | 0.24589 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3f5m |
RMSD bond length | 0.004 |
RMSD bond angle | 1.333 |
Data reduction software | xia2 |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 69.070 | 2.434 |
High resolution limit [Å] | 2.350 | 2.350 |
Number of reflections | 88344 | |
<I/σ(I)> | 10.8 | |
Completeness [%] | 99.9 | |
Redundancy | 9.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.1M carboxylic acids (sodium formate, ammonium acetate, sodium citrate tribasic dihydrate, sodium potassium tartrate tetrahydrate and sodium oxamate), buffer (0.1 M imidazole; MES monohydrate (acid)) and precipitant mix (40% v/v glycerol; 20% w/v PEG 4000). |