4GTE
T. Maritima FDTS (E144R mutant) with FAD and Folate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-2 |
Synchrotron site | SSRL |
Beamline | BL12-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2011-03-28 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 54.710, 117.070, 141.910 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.470 - 1.890 |
R-factor | 0.18512 |
Rwork | 0.184 |
R-free | 0.21266 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1o26 |
RMSD bond length | 0.018 |
RMSD bond angle | 1.666 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | REFMAC (5.5.0110) |
Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 1.940 |
High resolution limit [Å] | 1.890 | 1.890 |
Rmerge | 0.082 | 0.970 |
Number of reflections | 73284 | |
<I/σ(I)> | 14.5 | 1.7 |
Completeness [%] | 99.2 | 99.4 |
Redundancy | 5.4 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 295 | 50-60% PEG 200 and 100mM Tris HCL (pH 8.0), VAPOR DIFFUSION, HANGING DROP, temperature 295K |