Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALBA BEAMLINE XALOC |
| Synchrotron site | ALBA |
| Beamline | XALOC |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-08-15 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 53.100, 51.420, 26.220 |
| Unit cell angles | 90.00, 106.36, 90.00 |
Refinement procedure
| Resolution | 36.190 - 1.830 |
| R-factor | 0.2566 |
| Rwork | 0.252 |
| R-free | 0.30230 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5nnm |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.960 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | BUSTER (2.10.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.940 |
| High resolution limit [Å] | 1.830 | 1.830 |
| Rmerge | 0.110 | 1.290 |
| Number of reflections | 5827 | 500 |
| <I/σ(I)> | 5.38 | 0.84 |
| Completeness [%] | 96.7 | |
| Redundancy | 3.2 | |
| CC(1/2) | 0.990 | 0.190 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 20% PEG 20K |
