Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | ELETTRA BEAMLINE 5.2R |
| Synchrotron site | ELETTRA |
| Beamline | 5.2R |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-05-03 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.0000, 1.7220, 1.7587 |
| Spacegroup name | F 4 3 2 |
| Unit cell lengths | 184.200, 184.200, 184.200 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.640 - 1.590 |
| R-factor | 0.193 |
| Rwork | 0.192 |
| R-free | 0.20500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ka3 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.052 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.640 | 1.680 |
| High resolution limit [Å] | 1.590 | 1.590 |
| Rmerge | 0.110 | 0.275 |
| Rmeas | 0.130 | 0.343 |
| Rpim | 0.051 | 0.154 |
| Number of reflections | 36091 | |
| <I/σ(I)> | 7.2 | 3.4 |
| Completeness [%] | 99.2 | 98.2 |
| Redundancy | 5.8 | 4.7 |
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 |
