Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-08-08 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 208.606, 57.835, 65.622 |
| Unit cell angles | 90.00, 107.40, 90.00 |
Refinement procedure
| Resolution | 28.917 - 1.957 |
| R-factor | 0.2011 |
| Rwork | 0.198 |
| R-free | 0.25420 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4uwy |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.315 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.920 | 2.000 |
| High resolution limit [Å] | 1.960 | 1.960 |
| Rmerge | 0.050 | 0.320 |
| Number of reflections | 45034 | |
| <I/σ(I)> | 13 | 1.9 |
| Completeness [%] | 83.2 | 29.4 |
| Redundancy | 3.8 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8 | 20 % PEG 5K MME, 0.1 M TRIS, PH 7.5, 0.2 M (NH4)2SO4 |
