Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-04-19 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9762 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 35.853, 68.693, 109.198 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 16.530 - 1.300 |
| R-factor | 0.1011 |
| Rwork | 0.100 |
| R-free | 0.12430 |
| Structure solution method | SAD |
| RMSD bond length | 0.020 |
| RMSD bond angle | 2.070 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | SHELXCD |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 58.145 | 1.320 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmerge | 0.040 | 0.070 |
| Number of reflections | 66898 | 3479 |
| <I/σ(I)> | 34.1 | |
| Completeness [%] | 99.5 | 98.7 |
| Redundancy | 6.5 | 6.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 277 | 0.2 M LiCl, 10% PEG6000, 0.1 M sodium acetate, pH 5 |
