Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX II BEAMLINE I911-3 |
| Synchrotron site | MAX II |
| Beamline | I911-3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-11-05 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97934 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 432.290, 307.870, 679.449 |
| Unit cell angles | 90.00, 107.15, 90.00 |
Refinement procedure
| Resolution | 44.262 - 3.400 |
| R-factor | 0.2682 |
| Rwork | 0.268 |
| R-free | 0.27000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ms2 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.22) |
| Phasing software | FFT |
| Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 44.262 | 44.262 | 3.580 |
| High resolution limit [Å] | 3.400 | 10.750 | 3.400 |
| Rmerge | 0.198 | 0.041 | 0.749 |
| Rmeas | 0.261 | 0.052 | 0.984 |
| Rpim | 0.168 | 0.031 | 0.630 |
| Total number of observations | 44156 | 133407 | |
| Number of reflections | 591127 | 19271 | 79775 |
| <I/σ(I)> | 3.3 | 9.7 | 1 |
| Completeness [%] | 51.1 | 52.3 | 47.3 |
| Redundancy | 1.8 | 2.3 | 1.7 |
| CC(1/2) | 0.965 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.85 M ammonium sulfate |
