Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-06-27 |
| Detector | MAR CCD 130 mm |
| Wavelength(s) | 0.9798 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 83.541, 83.541, 139.173 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.034 - 2.421 |
| R-factor | 0.1748 |
| Rwork | 0.173 |
| R-free | 0.21850 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5xne |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.205 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.510 |
| High resolution limit [Å] | 2.420 | 2.420 |
| Rmerge | 0.104 | 0.585 |
| Number of reflections | 19453 | 1906 |
| <I/σ(I)> | 30.16 | 7.21 |
| Completeness [%] | 99.9 | 98.9 |
| Redundancy | 12.2 | 11.7 |
| CC(1/2) | 0.999 | 0.930 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 289 | 20%(v/v)1,4-Butanediol, 100mM Sodium acetate/Acetic acid pH4.5 |
