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 | PIXEL |
| Collection date | 2013-12-11 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 87.725, 118.573, 138.709 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.303 - 2.167 |
| Rwork | 0.213 |
| R-free | 0.25130 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | in house model |
| RMSD bond length | 0.003 |
| RMSD bond angle | 1.220 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.303 | 2.300 |
| High resolution limit [Å] | 2.167 | 2.170 |
| Rmeas | 0.138 | |
| Number of reflections | 38659 | 6104 |
| <I/σ(I)> | 10.85 | 1.71 |
| Completeness [%] | 99.7 | |
| Redundancy | 5.01 | |
| CC(1/2) | 0.998 | 0.651 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1M sodium acetate buffer pH 4.9, 2.13-2.145M sodium malonate |
