Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-04-04 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97857 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 49.850, 130.500, 55.600 |
| Unit cell angles | 90.00, 116.25, 90.00 |
Refinement procedure
| Resolution | 42.300 - 1.850 |
| R-factor | 0.2023 |
| Rwork | 0.201 |
| R-free | 0.23030 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4l9s |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.754 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.300 | 1.960 |
| High resolution limit [Å] | 1.840 | 1.850 |
| Number of reflections | 54015 | 38376 |
| <I/σ(I)> | 10.7 | |
| Completeness [%] | 98.6 | |
| Redundancy | 4.7 | |
| CC(1/2) | 0.990 | 0.660 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | PEG 3350 21%, MES 0.1 M pH 6.0, NaCl 150mM |
