Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-06-21 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0332 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 67.091, 119.565, 127.215 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 15.000 - 2.800 |
| R-factor | 0.267 |
| Rwork | 0.265 |
| R-free | 0.30860 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4rue |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.756 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 15.000 | 2.990 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.142 | |
| Number of reflections | 25670 | 2332 |
| <I/σ(I)> | 0.5 | |
| Completeness [%] | 98.0 | |
| Redundancy | 12.8 | |
| CC(1/2) | 0.108 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 277 | 20-25% PEG400 200mM KCl 1mM CdCl 100mM HEPES, pH=8.0 |
