Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 103 |
| Detector technology | CCD |
| Collection date | 2013-04-18 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97919 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 79.405, 79.405, 404.366 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.700 - 3.050 |
| R-factor | 0.197 |
| Rwork | 0.192 |
| R-free | 0.25290 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2qsh |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.685 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.700 | 3.100 |
| High resolution limit [Å] | 3.050 | 3.050 |
| Rmerge | 0.071 | 0.792 |
| Number of reflections | 45912 | |
| <I/σ(I)> | 23.8 | |
| Completeness [%] | 97.5 | 100 |
| Redundancy | 6.7 | 6.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | 50mM BTP-HCl, 100mM NaCl, 14% isopropanol and 100mM calcium chloride |
