Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-03-12 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 |
| Unit cell lengths | 57.423, 69.521, 124.481 |
| Unit cell angles | 89.88, 89.94, 65.57 |
Refinement procedure
| Resolution | 29.870 - 2.140 |
| R-factor | 0.1961 |
| Rwork | 0.195 |
| R-free | 0.27930 |
| RMSD bond length | 0.020 |
| RMSD bond angle | 2.058 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.000 | 30.000 | 2.220 |
| High resolution limit [Å] | 2.140 | 4.610 | 2.140 |
| Rmerge | 0.053 | 0.025 | 0.576 |
| Rmeas | 0.061 | 0.028 | 0.684 |
| Rpim | 0.032 | 0.014 | 0.366 |
| Total number of observations | 348230 | ||
| Number of reflections | 95569 | ||
| <I/σ(I)> | 9.9 | ||
| Completeness [%] | 99.4 | 99.9 | 98.6 |
| Redundancy | 3.6 | 3.9 | 3.3 |
| CC(1/2) | 0.999 | 0.747 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.2 M Mg formate, 20% PEG 3350 |
