Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-3 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-3 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-09-02 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 0.9677 |
| Spacegroup name | H 3 |
| Unit cell lengths | 180.189, 180.189, 76.832 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 90.090 - 2.820 |
| R-factor | 0.24846 |
| Rwork | 0.247 |
| R-free | 0.28380 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4d2g |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.818 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0107) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 90.090 | 2.970 |
| High resolution limit [Å] | 2.820 | 2.820 |
| Rmerge | 0.093 | 0.440 |
| Number of reflections | 22331 | |
| <I/σ(I)> | 7.3 | 1.7 |
| Completeness [%] | 99.6 | 99.8 |
| Redundancy | 3.1 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 293 | 11% PEG 3350 0.1M Sodium acetate ph 4.5 |
