Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-12-01 |
| Detector | RIGAKU SATURN A200 |
| Wavelength(s) | 1.542 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 141.900, 64.960, 116.140 |
| Unit cell angles | 90.00, 103.59, 90.00 |
Refinement procedure
| Resolution | 31.024 - 2.300 |
| Rwork | 0.208 |
| R-free | 0.30620 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Internal Model |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.356 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.210 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.153 | 0.345 |
| Number of reflections | 45929 | 4484 |
| <I/σ(I)> | 7.6 | |
| Completeness [%] | 99.9 | |
| Redundancy | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | ethylene glycol per PEG 8000, carboxylic acids mix, buffer system 2 |
