Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08B1-1 |
| Synchrotron site | CLSI |
| Beamline | 08B1-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-08-17 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 98.316, 52.688, 127.844 |
| Unit cell angles | 90.00, 95.19, 90.00 |
Refinement procedure
| Resolution | 98.104 - 3.100 |
| Rwork | 0.185 |
| R-free | 0.28500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1uik |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.487 |
| Data reduction software | DIALS |
| Data scaling software | DIALS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 98.104 | 3.310 |
| High resolution limit [Å] | 3.100 | 3.100 |
| Rmerge | 0.102 | 0.288 |
| Rmeas | 0.142 | 0.401 |
| Rpim | 0.099 | 0.278 |
| Number of reflections | 20422 | 20422 |
| <I/σ(I)> | 6 | |
| Completeness [%] | 85.9 | |
| Redundancy | 3 | 2.1 |
| CC(1/2) | 0.985 | 0.878 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 0.075M Sodium fluoride, 0.1M Bis-tris propane, 10% PEG3350 |
