Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-07-30 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0332 |
| Spacegroup name | H 3 |
| Unit cell lengths | 174.510, 174.510, 173.410 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 69.270 - 2.900 |
| R-factor | 0.2352 |
| Rwork | 0.234 |
| R-free | 0.25480 |
| Structure solution method | MIRAS |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | SHARP |
| Refinement software | PHENIX (1.18.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 75.000 | 3.000 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.069 | 0.013 |
| Rmeas | 0.085 | 0.156 |
| Number of reflections | 42366 | 4032 |
| <I/σ(I)> | 10.23 | 0.81 |
| Completeness [%] | 98.1 | 96.1 |
| Redundancy | 2.8 | 2.8 |
| CC(1/2) | 0.997 | 0.251 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 292 | 27% (W/V) pentaerythritol propoxylate (5/4 PO/OH), 8% polyethylene glycol 400, 0.2M KCL, 0.1M sodium citrate Ph 5.5 |
