Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-07-24 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.815342 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 83.003, 106.976, 124.611 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 53.840 - 1.920 |
| Rwork | 0.218 |
| R-free | 0.24950 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4s2p |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.415 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 53.840 | 1.960 |
| High resolution limit [Å] | 1.920 | 1.920 |
| Number of reflections | 85231 | 4431 |
| <I/σ(I)> | 5.8 | 1 |
| Completeness [%] | 99.9 | |
| Redundancy | 12 | |
| CC(1/2) | 0.994 | 0.588 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 0.1M HEPES pH 7.5, 11.6% PEG8000, 8% 1-BuOH, mixed with the 10 mg/mL protein stock at 1:1 ratio. |
