Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-03-15 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.987 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 36.526, 59.710, 66.875 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.540 - 1.401 |
| Rwork | 0.148 |
| R-free | 0.19220 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 2.067 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.540 | 1.420 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Number of reflections | 29373 | 1322 |
| <I/σ(I)> | 18.9 | |
| Completeness [%] | 99.5 | |
| Redundancy | 7.1 | |
| CC(1/2) | 1.000 | 0.666 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 22 % PEG6000, 0.1 M sodium acetate pH 4.0, 0.2 M LiSO4 |
