Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-10-17 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 72.476, 193.920, 230.219 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.680 |
| R-factor | 0.17375 |
| Rwork | 0.171 |
| R-free | 0.22398 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4nnj |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.973 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | |
| High resolution limit [Å] | 2.680 | 2.680 |
| Rmerge | 0.887 | |
| Number of reflections | 91638 | |
| <I/σ(I)> | 10.5 | |
| Completeness [%] | 99.0 | |
| Redundancy | 4.5 | |
| CC(1/2) | 0.992 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293 | 0.2M lithium sulfate, 0.1M bis-tris, 15% peg 3350 |
