Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-10-15 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 78.195, 86.938, 99.494 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.980 - 2.900 |
| R-factor | 0.267 |
| Rwork | 0.263 |
| R-free | 0.33490 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.990 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.5) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 29.070 | 13.500 | 2.980 |
| High resolution limit [Å] | 2.900 | 12.970 | 2.900 |
| Rmerge | 0.094 | ||
| Rmeas | 0.103 | ||
| Number of reflections | 15507 | 187 | 1096 |
| <I/σ(I)> | 4.09 | ||
| Completeness [%] | 99.6 | ||
| Redundancy | 6.1 | ||
| CC(1/2) | 0.930 | 0.995 | 0.591 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 10% PEG 8000, 0.1 IMIDAZOLE PH 6.8, 0.1 SODIUM ACETATE, 0.005 M YBCL3 |
