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 |
