Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL15A1 |
| Synchrotron site | NSRRC |
| Beamline | BL15A1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2018-05-11 |
| Detector | RAYONIX MX300-HS |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 65.020, 200.679, 240.140 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.690 - 2.060 |
| R-factor | 0.2086 |
| Rwork | 0.206 |
| R-free | 0.25020 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.010 |
| Data reduction software | HKL-2000 (2.3.10) |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP (11) |
| Refinement software | PHENIX ((1.21.1_5286: ???)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.000 | 30.000 | 2.130 |
| High resolution limit [Å] | 2.060 | 4.430 | 2.060 |
| Rmerge | 0.057 | 0.022 | 0.625 |
| Rmeas | 0.026 | 0.741 | |
| Rpim | 0.014 | 0.395 | |
| Number of reflections | 96188 | 9632 | 9593 |
| <I/σ(I)> | 13.3 | ||
| Completeness [%] | 98.9 | 95.1 | 100 |
| Redundancy | 3.4 | 3.3 | 3.4 |
| CC(1/2) | 0.999 | 0.616 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291.15 | 0.09 M NPS, Morpheus Buffer System 2 pH 7.5, 42% Morpheus Precipitant Mix 4 |
