Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-08-29 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97625 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 64.120, 122.780, 39.170 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.340 - 1.950 |
| R-factor | 0.1909 |
| Rwork | 0.189 |
| R-free | 0.22330 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1a4o |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.211 |
| Data reduction software | XDS (version Oct 15, 2015 BUILT=20151231) |
| Data scaling software | XDS (version Oct 15, 2015 BUILT=20151231) |
| Phasing software | PHASER (version 2.5.6) |
| Refinement software | PHENIX (version 1.9-1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.340 | 2.020 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.092 | 1.323 |
| Number of reflections | 23282 | |
| <I/σ(I)> | 14.26 | 1.48 |
| Completeness [%] | 99.9 | 99.96 |
| Redundancy | 8.4 | 8.7 |
| CC(1/2) | 0.999 | 0.617 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 13% PEG 3350, 190 mM CaCl2, 3% glycerol |
