Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE TPS 05A |
| Synchrotron site | NSRRC |
| Beamline | TPS 05A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-10-31 |
| Detector | DECTRIS EIGER2 X 9M |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 64.997, 200.275, 239.040 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.890 - 2.090 |
| R-factor | 0.2135 |
| Rwork | 0.211 |
| R-free | 0.25890 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.012 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.21.1_5286_000) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.000 | 30.000 | 2.160 |
| High resolution limit [Å] | 2.090 | 4.500 | 2.090 |
| Rmerge | 0.063 | 0.034 | 0.610 |
| Rmeas | 0.041 | 0.738 | |
| Rpim | 0.023 | 0.410 | |
| Number of reflections | 92306 | 9150 | 9214 |
| <I/σ(I)> | 10.5 | ||
| Completeness [%] | 99.3 | 94.3 | 100 |
| Redundancy | 3.1 | 3.1 | 3.1 |
| CC(1/2) | 0.997 | 0.555 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291.15 | NPS, Morpheus Buffer System 2, Morpheus Precipitant Mix 4 |
