Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-06-19 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9791829 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 57.277, 62.260, 67.815 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.860 - 1.400 |
| R-factor | 0.15479 |
| Rwork | 0.153 |
| R-free | 0.18374 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4RRE |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.767 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.12) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0124) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 45.860 | 45.860 | 1.420 |
| High resolution limit [Å] | 1.400 | 7.670 | 1.400 |
| Rmerge | 0.043 | 0.019 | 0.927 |
| Rmeas | 0.046 | 0.021 | 1.008 |
| Rpim | 0.017 | 0.009 | 0.395 |
| Total number of observations | 172053 | 818 | 7719 |
| Number of reflections | 24240 | ||
| <I/σ(I)> | 25.1 | 67.3 | 2 |
| Completeness [%] | 99.9 | 90.2 | 100 |
| Redundancy | 7.1 | 5.1 | 6.5 |
| CC(1/2) | 1.000 | 1.000 | 0.807 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8.5 | 293 | 30% PEG4000, 0.2 M magnesium chloride, 0.1 M TRIS |
