Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-02-27 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.987 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 168.940, 118.420, 74.300 |
| Unit cell angles | 90.00, 112.32, 90.00 |
Refinement procedure
| Resolution | 47.709 - 1.648 |
| R-factor | 0.1622 |
| Rwork | 0.161 |
| R-free | 0.19050 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3e96 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.298 |
| Data reduction software | XDS |
| Phasing software | MOLREP |
| Refinement software | PHENIX (dev_1803) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.700 | 1.750 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.070 | 0.580 |
| Number of reflections | 159523 | |
| <I/σ(I)> | 10 | 2 |
| Completeness [%] | 98.1 | 95.6 |
| Redundancy | 3.5 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 294 | BICINE, sodium formate, PEG MME 5000 |
