5TKC
Crystal structure of FBP aldolase from Toxoplasma gondii, ternary complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-07-31 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.075 |
Spacegroup name | P 42 21 2 |
Unit cell lengths | 109.848, 109.848, 54.882 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.837 - 1.779 |
R-factor | 0.1545 |
Rwork | 0.152 |
R-free | 0.19140 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.008 |
RMSD bond angle | 0.828 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHENIX |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.810 |
High resolution limit [Å] | 1.780 | 4.830 | 1.780 |
Rmerge | 0.060 | 0.036 | 0.828 |
Rmeas | 0.063 | 0.038 | 0.876 |
Rpim | 0.017 | 0.010 | 0.276 |
Total number of observations | 417400 | ||
Number of reflections | 31989 | ||
<I/σ(I)> | 13.3 | ||
Completeness [%] | 97.5 | 99.8 | 78.8 |
Redundancy | 13 | 13.3 | 9 |
CC(1/2) | 0.999 | 0.804 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 296 | 0.1M Sodium Acetate, 0.2M Lithium Sulfate, 3.5% PEG 8000, 10% PEG 1000 |