7W5V
A nonheme iron- and alpha-ketoglutarate- dependent halogenase that catalyzes nucleotide substrates
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | LIQUID ANODE |
| Source details | BRUKER METALJET |
| Temperature [K] | 100 |
| Detector technology | CMOS |
| Collection date | 2021-07-02 |
| Detector | BRUKER PHOTON 100 |
| Wavelength(s) | 1.34138 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 52.424, 72.397, 81.368 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.200 - 1.810 |
| R-factor | 0.1696 |
| Rwork | 0.167 |
| R-free | 0.21540 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7w5s |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.775 |
| Data reduction software | SAINT |
| Data scaling software | SADABS |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.200 | 1.840 |
| High resolution limit [Å] | 1.810 | 1.810 |
| Rmerge | 0.072 | 0.353 |
| Number of reflections | 28970 | 1353 |
| <I/σ(I)> | 13.6 | |
| Completeness [%] | 99.5 | |
| Redundancy | 6.39 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | Ammonium Sulfate, HEPES pH 7.5, PEG 400, di-Potassium hydrogen phosphate |
