3FOT
Structural and Functional Characterization of TRI3 Trichothecene 15-O-acetyltransferase from Fusarium sporotrichioides
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-BM |
Synchrotron site | APS |
Beamline | 19-BM |
Temperature [K] | 100 |
Wavelength(s) | 0.97907,1.008,1.07206,0.9987 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 64.146, 81.161, 95.358 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.590 - 1.750 |
R-factor | 0.17726 |
Rwork | 0.175 |
R-free | 0.22177 |
Structure solution method | MAD |
RMSD bond length | 0.012 |
RMSD bond angle | 1.450 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SOLVE |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 62.000 | 1.810 |
High resolution limit [Å] | 1.750 | 1.750 |
Rmerge | 0.250 | |
Number of reflections | 46506 | |
<I/σ(I)> | 3.6 | |
Completeness [%] | 98.0 | 73 |
Redundancy | 3.3 | 2.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | 2M Ammonium sulfate, 100 mM HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |