6ZV9
Terbium(III)-bound de novo TIM barrel-ferredoxin fold fusion dimer with 4-glutamate binding site and tryptophan antenna (TFD-EE N6W)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-01-29 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 43.970, 56.470, 71.280 |
| Unit cell angles | 90.00, 101.69, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.850 |
| R-factor | 0.1958 |
| Rwork | 0.195 |
| R-free | 0.22850 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Single domain Rosetta models |
| RMSD bond length | 0.003 |
| RMSD bond angle | 1.179 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.950 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmeas | 0.055 | 0.697 |
| Number of reflections | 56427 | 8189 |
| <I/σ(I)> | 13.12 | 1.94 |
| Completeness [%] | 98.4 | 97.9 |
| Redundancy | 3.06 | 2.97 |
| CC(1/2) | 0.999 | 0.845 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 0.1 M HEPES pH 7.5, 20 % PEG 4000, and 10 % iso-propanol, containing Gly3 as an additive |
