Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-07-13 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.033 |
| Spacegroup name | P 3 2 1 |
| Unit cell lengths | 108.911, 108.911, 116.074 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 27.640 - 2.330 |
| R-factor | 0.2083 |
| Rwork | 0.208 |
| R-free | 0.22020 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | IUAZ |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.006 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | BALBES |
| Refinement software | PHENIX (1.15.2_3472) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.640 | 2.410 |
| High resolution limit [Å] | 2.330 | 2.330 |
| Number of reflections | 34069 | 3344 |
| <I/σ(I)> | 7.6 | 1.8 |
| Completeness [%] | 99.4 | 100 |
| Redundancy | 10.3 | 10.6 |
| CC(1/2) | 0.990 | 0.360 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4 | 307.15 | 3.6 M sodium phosphate monobasic monohydrate, pH 4.0, 180 mM 1,6 hexanediol, 3.5% triethylene glycol |
