Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2017-11-28 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 78.614, 90.934, 141.458 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.861 - 3.400 |
| R-factor | 0.2426 |
| Rwork | 0.241 |
| R-free | 0.26660 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5twc |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.931 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.861 | 19.860 |
| High resolution limit [Å] | 3.400 | 3.400 |
| Rmerge | 0.119 | 0.395 |
| Rmeas | 0.169 | 0.559 |
| Rpim | 0.119 | 0.395 |
| Number of reflections | 14419 | 1427 |
| <I/σ(I)> | 6.01 | |
| Completeness [%] | 99.3 | |
| Redundancy | 2 | |
| CC(1/2) | 0.979 | 0.658 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 2.4 M sodium malonate pH 7.0 |
