Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-11-14 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 113.027, 160.485, 218.075 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.090 - 3.280 |
| R-factor | 0.2439 |
| Rwork | 0.242 |
| R-free | 0.27880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5iva |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.212 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 3.310 |
| High resolution limit [Å] | 3.200 | 6.890 | 3.200 |
| Rmerge | 0.674 | 0.072 | |
| Rmeas | 0.742 | 0.080 | |
| Rpim | 0.380 | 0.034 | 4.724 |
| Total number of observations | 354588 | ||
| Number of reflections | 65178 | 6930 | 6217 |
| <I/σ(I)> | 5.2 | ||
| Completeness [%] | 96.5 | 97.3 | 93.8 |
| Redundancy | 5.4 | 5.2 | 5.4 |
| CC(1/2) | 0.997 | 0.018 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 289 | 2% tacsimate (pH5.0), 16% PEG3350, 100mM sodium citrate tribasic dehydrate |
