Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-03-05 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.97949 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 36.959, 40.278, 110.665 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.670 - 1.190 |
| R-factor | 0.1549 |
| Rwork | 0.154 |
| R-free | 0.17760 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.018 |
| RMSD bond angle | 2.069 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.17) |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 27.670 | 27.670 | 1.220 |
| High resolution limit [Å] | 1.190 | 5.320 | 1.190 |
| Rmerge | 0.039 | 0.022 | 0.680 |
| Rmeas | 0.043 | 0.024 | 0.795 |
| Rpim | 0.017 | 0.010 | 0.401 |
| Total number of observations | 310446 | ||
| Number of reflections | 52205 | 687 | 2905 |
| <I/σ(I)> | 21.6 | ||
| Completeness [%] | 97.0 | 97.5 | 75.8 |
| Redundancy | 5.9 | 5.5 | 3.6 |
| CC(1/2) | 1.000 | 0.999 | 0.599 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 292 | 27.5% PEG 8000, 400 mM LiCl |
