6WXO
De novo TIM barrel-ferredoxin fold fusion homodimer with 2-histidine 2-glutamate centre TFD-HE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.1 |
| Synchrotron site | ALS |
| Beamline | 8.2.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2019-09-26 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.851, 62.512, 48.949 |
| Unit cell angles | 90.00, 95.27, 90.00 |
Refinement procedure
| Resolution | 32.950 - 1.410 |
| R-factor | 0.1833 |
| Rwork | 0.183 |
| R-free | 0.21210 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | TIM barrel component of Rosetta model of TFD-HE. |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.096 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.18rc2_3793) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 32.950 | 1.450 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.105 | 1.870 |
| Rmeas | 0.122 | 2.177 |
| Rpim | 0.061 | 1.099 |
| Number of reflections | 56179 | 5536 |
| <I/σ(I)> | 7.25 | 0.71 |
| Completeness [%] | 97.0 | 95.8 |
| Redundancy | 3.7 | 3.6 |
| CC(1/2) | 0.995 | 0.192 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.1 M Citric Acid pH 4.0 and 2.4 M Ammonium Sulfate |
