4TPN
High-resolution structure of TxtE in the absence of substrate
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 | 2013-12-07 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 65.696, 79.436, 112.355 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 64.860 - 1.180 |
| R-factor | 0.1629 |
| Rwork | 0.163 |
| R-free | 0.17110 |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.661 |
| Data scaling software | SCALA (3.3.21) |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 64.862 | 37.608 | 1.240 |
| High resolution limit [Å] | 1.180 | 3.730 | 1.180 |
| Rmerge | 0.034 | 1.362 | |
| Rmeas | 0.054 | ||
| Rpim | 0.024 | 0.017 | 0.708 |
| Total number of observations | 890795 | 30535 | 99205 |
| Number of reflections | 182976 | ||
| <I/σ(I)> | 13.9 | 42.3 | 1.1 |
| Completeness [%] | 94.9 | 98.5 | 81.1 |
| Redundancy | 4.9 | 4.8 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 295 | 1.25 M Li2SO4, 0.5 M (NH4)2SO4 |
