Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 80 |
| Detector technology | PIXEL |
| Collection date | 2020-04-23 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97852 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 48.450, 56.350, 114.644 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.620 - 1.420 |
| R-factor | 0.20103 |
| Rwork | 0.200 |
| R-free | 0.22655 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5xxh |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.627 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 57.320 | 1.450 |
| High resolution limit [Å] | 1.420 | 1.420 |
| Rmerge | 0.080 | 0.872 |
| Rmeas | 0.084 | 0.912 |
| Rpim | 0.024 | 0.262 |
| Total number of observations | 344567 | 17036 |
| Number of reflections | 29862 | 1451 |
| <I/σ(I)> | 14.3 | 2.5 |
| Completeness [%] | 99.6 | |
| Redundancy | 11.5 | 11.7 |
| CC(1/2) | 0.998 | 0.850 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.2 M Sodium citrate tribasic dihydrate, 20% w/v Polyethylene glycol 3,350 |
