Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ELETTRA BEAMLINE 5.2R |
| Synchrotron site | ELETTRA |
| Beamline | 5.2R |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-10-29 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.2398 |
| Spacegroup name | F 4 3 2 |
| Unit cell lengths | 183.843, 183.843, 183.843 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.080 - 1.750 |
| R-factor | 0.18851 |
| Rwork | 0.188 |
| R-free | 0.20425 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ka3 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.027 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 41.110 | 41.110 | 1.780 |
| High resolution limit [Å] | 1.750 | 9.090 | 1.750 |
| Rmerge | 0.075 | 0.051 | 0.378 |
| Number of reflections | 27391 | ||
| <I/σ(I)> | 22.3 | 38 | 6.6 |
| Completeness [%] | 100.0 | 97.9 | 100 |
| Redundancy | 10.9 | 8 | 11.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9 | 277 | 1.6-2M magnesium chloride, 0.1M bicine, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
