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 | 2023-05-26 |
| Detector | DECTRIS EIGER2 X 9M |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 65.075, 201.469, 240.021 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.500 |
| R-factor | 0.2154 |
| Rwork | 0.213 |
| R-free | 0.26370 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.137 |
| 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 | 2.590 |
| High resolution limit [Å] | 2.500 | 5.380 | 2.500 |
| Rmerge | 0.102 | 0.037 | 0.926 |
| Rmeas | 0.112 | 0.041 | 1.020 |
| Rpim | 0.046 | 0.017 | 0.418 |
| Total number of observations | 283980 | ||
| Number of reflections | 52966 | 5540 | 5002 |
| <I/σ(I)> | 10.2 | ||
| Completeness [%] | 96.3 | 95.9 | 92.5 |
| Redundancy | 5.4 | 5.5 | 5.3 |
| CC(1/2) | 0.998 | 0.999 | 0.546 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291.15 | NPS, Morpheus Buffer System 2, Morpheus Precipitant Mix 4 |
