Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-06-30 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 |
| Unit cell lengths | 78.219, 79.117, 138.819 |
| Unit cell angles | 76.68, 77.70, 67.98 |
Refinement procedure
| Resolution | 19.950 - 2.400 |
| R-factor | 0.2103 |
| Rwork | 0.209 |
| R-free | 0.23170 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4k9d |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.15.2_3472) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.950 | 2.490 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.049 | 0.241 |
| Rmeas | 0.070 | 0.341 |
| Rpim | 0.049 | 0.241 |
| Number of reflections | 183232 | 11180 |
| <I/σ(I)> | 10 | 2.9 |
| Completeness [%] | 90.6 | 96.8 |
| Redundancy | 1.8 | 1.85 |
| CC(1/2) | 0.911 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 1.6 M SODIUM CITRATE, PH 6.5 |
