Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-09-29 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 32 |
| Unit cell lengths | 114.260, 114.260, 37.910 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 37.400 - 1.750 |
| R-factor | 0.173 |
| Rwork | 0.172 |
| R-free | 0.19000 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 4POX |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.000 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | BUSTER |
| Refinement software | BUSTER (2.10.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.860 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Number of reflections | 224742 | |
| <I/σ(I)> | 14.18 | 1.41 |
| Completeness [%] | 99.8 | 99.5 |
| Redundancy | 4 | |
| CC(1/2) | 0.999 | 0.570 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 30% P4000/ 0.1 M Tris pH 8/ 0.1 M LiSO4 |
