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 | 2013-07-11 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 87.200, 117.500, 136.600 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.893 - 2.350 |
| Rwork | 0.212 |
| R-free | 0.26010 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | inhouse structure |
| RMSD bond length | 0.002 |
| RMSD bond angle | 1.157 |
| 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] | 48.950 | 2.480 |
| High resolution limit [Å] | 2.340 | 2.340 |
| Rmeas | 0.095 | 0.830 |
| Number of reflections | 178315 | 4796 |
| <I/σ(I)> | 16.25 | |
| Completeness [%] | 99.8 | 99.6 |
| Redundancy | 5.9 | |
| CC(1/2) | 0.999 | 0.805 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.9 | 293 | 0.1M sodium acetate buffer, 2.13-2.145M sodium malonate |
