Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-05-30 |
| Detector | DECTRIS PILATUS 2M |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 121.800, 124.030, 153.320 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.530 - 3.700 |
| R-factor | 0.2792 |
| Rwork | 0.278 |
| R-free | 0.31010 |
| Structure solution method | SAD |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.260 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | SHELX (SHARP) |
| Refinement software | BUSTER (2.10.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.570 | 3.760 |
| High resolution limit [Å] | 3.700 | 3.700 |
| Rmerge | 0.070 | 0.740 |
| Number of reflections | 21870 | |
| <I/σ(I)> | 20 | 2.2 |
| Completeness [%] | 98.0 | 86.3 |
| Redundancy | 5.4 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 277 | 22 % PEG 400, 0.05 M SODIUM CITRATE PH 4.5, 0.07 M SODIUM CHLORIDE AND 1.5 % PEG 600 USING THE HANGING DROP VAPOR DIFFUSION TECHNIQUE AT 4 CELSIUS. |
