8ZAD
Crystal structure of RuABA3 from Rutstroemia sp. NJR-2017a WRK4
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | LIQUID ANODE |
| Source details | BRUKER METALJET |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-09-18 |
| Detector | Bruker PHOTON III |
| Wavelength(s) | 1.34138 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 68.324, 141.011, 90.285 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.390 - 2.100 |
| R-factor | 0.16631 |
| Rwork | 0.164 |
| R-free | 0.21166 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | AlphaFold |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.600 |
| Data reduction software | SAINT |
| Data scaling software | SAINT |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.390 | 2.130 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Number of reflections | 25866 | 1045 |
| <I/σ(I)> | 8.5 | |
| Completeness [%] | 99.9 | |
| Redundancy | 7.62 | |
| CC(1/2) | 0.996 | 0.792 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 20% PEG 8000, 0.1 M CAPS pH 10.5, 0.2 M NaCl |
