Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-06-22 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 41 |
| Unit cell lengths | 63.210, 63.210, 273.360 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 57.370 - 1.650 |
| R-factor | 0.1875 |
| Rwork | 0.185 |
| R-free | 0.22600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7sie |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.917 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 68.340 | 1.680 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.100 | 0.610 |
| Number of reflections | 127888 | 6174 |
| <I/σ(I)> | 14 | 3.5 |
| Completeness [%] | 99.8 | 99.4 |
| Redundancy | 11.4 | 10.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 277 | 20% PEG3350, 0.2 M sodium malonate, pH 5.0 |
