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 | 2013-11-13 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 87.864, 118.789, 138.136 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.354 - 2.464 |
| Rwork | 0.199 |
| R-free | 0.24290 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | in house model |
| RMSD bond length | 0.003 |
| RMSD bond angle | 1.274 |
| 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] | 46.354 | 2.600 |
| High resolution limit [Å] | 2.460 | 2.460 |
| Rmeas | 0.074 | 0.491 |
| Number of reflections | 146185 | 4006 |
| <I/σ(I)> | 17.3 | |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 5.5 | |
| CC(1/2) | 0.999 | 0.926 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.9 | 293 | 0.1M sodium acetate buffer pH 4.9, 2.13-2.145M sodium malonate |
